tag:github.com,2008:/organizations/NMRLipids/nmrlipid 2026-10-14T14:17:46Z tag:github.com,2008:push/24126742091 2026-10-14 14:17:46 UTC 2026-10-14 14:17:46 UTC batukav https://github.com/batukav <div class="git-branch js-feed-item-view"><div class="body"> <!-- delete --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/batukav" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/7993653?s=64&amp;v=4" width="32" height="32" alt="@batukav"></a></span> <a class="Link--primary no-underline wb-break-all" href="/batukav" rel="noreferrer">batukav</a> deleted branch <span class="branch-name">refs/heads/548-ipylib-optional-ipython</span> in <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/FAIRMD_lipids" rel="noreferrer">NMRLipids/FAIRMD_lipids</a> <span> · <relative-time tense="past" datetime="2026-10-14T14:17:46Z" data-view-component="true">October 14, 2026 14:17</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <div> <div class="f4 lh-condensed text-bold color-fg-default"> <a class="Link--primary text-bold no-underline wb-break-all d-inline-block" href="/NMRLipids/FAIRMD_lipids" rel="noreferrer">NMRLipids/FAIRMD_lipids</a> </div> <p class="f6 color-fg-muted mt-2 mb-0"> <span>Updated Oct 14</span> </p> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24125507735 2026-10-15 13:09:15 UTC 2026-10-15 13:09:15 UTC markussmiettinen https://github.com/markussmiettinen <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/markussmiettinen" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/5721866?s=64&amp;v=4" width="32" height="32" alt="@markussmiettinen"></a></span> <a class="Link--primary no-underline wb-break-all" href="/markussmiettinen" rel="noreferrer">markussmiettinen</a> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/BilayerData" rel="noreferrer">NMRLipids/BilayerData</a> <span> · <relative-time tense="past" datetime="2026-10-15T13:09:15Z" data-view-component="true">October 15, 2026 13:09</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>2 commits to</span> <a class="branch-name" href="/NMRLipids/BilayerData/tree/main" rel="noreferrer">main</a> <div class="commits "> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <a class="d-inline-block" href="/apps/github-actions" rel="noreferrer"><img class="mr-1" src="https://avatars.githubusercontent.com/in/15368?s=32&amp;v=4" width="16" height="16" alt="@github-actions"></a> </span> <code><a class="mr-1" href="/NMRLipids/BilayerData/commit/c434b3deefe6a504a8c52eb83e6a59cb9b4f3373" rel="noreferrer">c434b3d</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Run global analysis methods on simulations (Automated) </blockquote> </div> </li> <li class="d-flex flex-items-baseline"> <span> <a class="d-inline-block" href="/markussmiettinen" rel="noreferrer"><img class="mr-1 avatar-user" src="https://avatars.githubusercontent.com/u/5721866?s=32&amp;v=4" width="16" height="16" alt="@markussmiettinen"></a> </span> <code><a class="mr-1" href="/NMRLipids/BilayerData/commit/701e9c27649e9a37986fd66696a0dd1719c4d0f1" rel="noreferrer">701e9c2</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Merge pull request <a class="issue-link js-issue-link" data-error-text="Failed to load title" data-id="5855948963" data-permission-text="Title is private" data-url="https://github.com/NMRLipids/BilayerData/issues/616" data-hovercard-type="pull_request" data-hovercard-url="/NMRLipids/BilayerData/pull/616/hovercard" href="https://github.com/NMRLipids/BilayerData/pull/616" rel="noreferrer">#616</a> from NMRLipids/analysis/update-sims-298-a338b… </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24103423184 2026-10-14 02:13:43 UTC 2026-10-14 02:13:43 UTC github-actions[bot] https://github.com/github-actions[bot] <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/github-actions" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/15368?s=64&amp;v=4" width="32" height="32" alt="@github-actions"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/github-actions" rel="noreferrer">github-actions[bot]</a> <span class="Label Label--secondary">Bot</span> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/NMRLipids.github.io" rel="noreferrer">NMRLipids/NMRLipids.github.io</a> <span> · <relative-time tense="past" datetime="2026-10-14T02:13:43Z" data-view-component="true">October 14, 2026 02:13</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>1 commit to</span> <a class="branch-name" href="/NMRLipids/NMRLipids.github.io/tree/main" rel="noreferrer">main</a> <div class="commits "> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <img class="mr-1 avatar-user" width="16" height="16" alt="" src="https://camo.githubusercontent.com/37418aa4189665c2e3437cdb971e2f54f7c263df4a94d3b930d8a8738d88d93f/68747470733a2f2f322e67726176617461722e636f6d2f6176617461722f66353235343735373466363264323331356536303636396332643464636562643f643d68747470732533412532462532466769746875622e6769746875626173736574732e636f6d253246696d6167657325324667726176617461727325324667726176617461722d757365722d3432302e706e6726723d6726733d313430" data-canonical-src="https://2.gravatar.com/avatar/f52547574f62d2315e60669c2d4dcebd?d=https%3A%2F%2Fgithub.githubassets.com%2Fimages%2Fgravatars%2Fgravatar-user-420.png&amp;r=g&amp;s=140"> </span> <code><a class="mr-1" href="/NMRLipids/NMRLipids.github.io/commit/109f0b9052efcec3cf9abeab2af6ed108181cd67" rel="noreferrer">109f0b9</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> GitHub traffic </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_merged/17312589284 2026-10-15 06:09:13 -0700 2026-10-15 06:09:13 -0700 github-actions[bot] https://github.com/github-actions[bot] <div class="git-merge js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/github-actions" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/15368?s=64&amp;v=4" width="32" height="32" alt="@github-actions"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/github-actions" rel="noreferrer">github-actions[bot]</a> <span class="Label Label--secondary">Bot</span> merged <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/BilayerData#616" href="https://github.com/NMRLipids/BilayerData/pull/616" rel="noreferrer">NMRLipids/BilayerData#616</a> <span> · <relative-time tense="past" datetime="2026-10-15T06:09:13-07:00" data-view-component="true">October 15, 2026 06:09</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request merge d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Global simulation analysis after simulation addition" href="https://github.com/NMRLipids/BilayerData/pull/616" rel="noreferrer">Global simulation analysis after simulation addition</a></span> <span class="f4 color-fg-muted ml-1">#616</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto">This PR automatically runs the global analysis scripts:<br> - match simulations to experiments<br> - evaluate qualitites<br> - make ranking tables<br> Triggered by…</p> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+189</span> <span class="color-fg-danger">-6</span> </div> <div class="d-inline-block f6 color-fg-muted tmp-ml-3"> 1 comment </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24096375202 2026-10-14 10:25:05 UTC 2026-10-14 10:25:05 UTC batukav https://github.com/batukav <div class="git-branch js-feed-item-view"><div class="body"> <!-- create --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/batukav" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/7993653?s=64&amp;v=4" width="32" height="32" alt="@batukav"></a></span> <a class="Link--primary no-underline wb-break-all" href="/batukav" rel="noreferrer">batukav</a> created a branch in <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/FAIRMD_lipids" rel="noreferrer">NMRLipids/FAIRMD_lipids</a> <span> · <relative-time tense="past" datetime="2026-10-14T10:25:05Z" data-view-component="true">October 14, 2026 10:25</relative-time> </span> </div> </div> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <div> <div class="f4 lh-condensed text-bold color-fg-default"> <div class="d-inline-block"> <div class="d-flex"> <div class="mr-2"> <a class="d-flex" data-hovercard-type="organization" data-hovercard-url="/orgs/NMRLipids/hovercard" data-octo-click="hovercard-link-click" data-octo-dimensions="link_type:self" href="/NMRLipids" rel="noreferrer"><img src="https://avatars.githubusercontent.com/u/9036099?s=40&amp;v=4" alt="@NMRLipids" size="20" height="20" width="20" data-view-component="true" class="avatar avatar-small"></a> </div> <div class="d-inline-block"> <a class="css-truncate css-truncate-target branch-name v-align-middle" title="refs/heads/548-ipylib-optional-ipython" href="https://github.com/NMRLipids/FAIRMD_lipids/tree/refs/heads/548-ipylib-optional-ipython" rel="noreferrer">refs/heads/548-ipylib-optional-ipython</a> in <a class="Link--primary text-bold no-underline wb-break-all d-inline-block" href="/NMRLipids/FAIRMD_lipids" rel="noreferrer">NMRLipids/FAIRMD_lipids</a> </div> </div> </div> </div> <p class="f6 color-fg-muted mt-2 mb-0"> <span>Updated Oct 14</span> </p> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24096105889 2026-10-13 23:54:04 UTC 2026-10-13 23:54:04 UTC comcon1 https://github.com/comcon1 <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/comcon1" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/25392312?s=64&amp;v=4" width="32" height="32" alt="@comcon1"></a></span> <a class="Link--primary no-underline wb-break-all" href="/comcon1" rel="noreferrer">comcon1</a> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/UserData" rel="noreferrer">NMRLipids/UserData</a> <span> · <relative-time tense="past" datetime="2026-10-13T23:54:04Z" data-view-component="true">October 13, 2026 23:54</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>1 commit to</span> <a class="branch-name" href="/NMRLipids/UserData/tree/bot/info_yaml_20261013135635" rel="noreferrer">bot/info_yaml_20261013135635</a> <div class="commits pusher-is-only-committer"> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <a class="d-inline-block" href="/comcon1" rel="noreferrer"><img class="mr-1 avatar-user" src="https://avatars.githubusercontent.com/u/25392312?s=32&amp;v=4" width="16" height="16" alt="@comcon1"></a> </span> <code><a class="mr-1" href="/NMRLipids/UserData/commit/746de288c0a60ad5df08e758b1196a2cde27968e" rel="noreferrer">746de28</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Update mapping for OPC in info.yml </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24072748494 2026-10-13 23:50:01 UTC 2026-10-13 23:50:01 UTC comcon1 https://github.com/comcon1 <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/comcon1" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/25392312?s=64&amp;v=4" width="32" height="32" alt="@comcon1"></a></span> <a class="Link--primary no-underline wb-break-all" href="/comcon1" rel="noreferrer">comcon1</a> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/UserData" rel="noreferrer">NMRLipids/UserData</a> <span> · <relative-time tense="past" datetime="2026-10-13T23:50:01Z" data-view-component="true">October 13, 2026 23:50</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>1 commit to</span> <a class="branch-name" href="/NMRLipids/UserData/tree/main" rel="noreferrer">main</a> <div class="commits "> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <a class="d-inline-block" href="/MagnusSletten" rel="noreferrer"><img class="mr-1 avatar-user" src="https://avatars.githubusercontent.com/u/171813737?s=32&amp;v=4" width="16" height="16" alt="@MagnusSletten"></a> </span> <code><a class="mr-1" href="/NMRLipids/UserData/commit/4a6445876bcfbf8a2746ed8de4a237375343a705" rel="noreferrer">4a64458</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Add mappingOPC_amber.yaml </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24072608988 2026-10-13 23:47:03 UTC 2026-10-13 23:47:03 UTC comcon1 https://github.com/comcon1 <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/comcon1" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/25392312?s=64&amp;v=4" width="32" height="32" alt="@comcon1"></a></span> <a class="Link--primary no-underline wb-break-all" href="/comcon1" rel="noreferrer">comcon1</a> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/BilayerData" rel="noreferrer">NMRLipids/BilayerData</a> <span> · <relative-time tense="past" datetime="2026-10-13T23:47:03Z" data-view-component="true">October 13, 2026 23:47</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>1 commit to</span> <a class="branch-name" href="/NMRLipids/BilayerData/tree/main" rel="noreferrer">main</a> <div class="commits "> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <a class="d-inline-block" href="/MagnusSletten" rel="noreferrer"><img class="mr-1 avatar-user" src="https://avatars.githubusercontent.com/u/171813737?s=32&amp;v=4" width="16" height="16" alt="@MagnusSletten"></a> </span> <code><a class="mr-1" href="/NMRLipids/BilayerData/commit/4a6445876bcfbf8a2746ed8de4a237375343a705" rel="noreferrer">4a64458</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Add mappingOPC_amber.yaml </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24068602020 2026-10-14 01:17:06 UTC 2026-10-14 01:17:06 UTC github-actions[bot] https://github.com/github-actions[bot] <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/github-actions" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/15368?s=64&amp;v=4" width="32" height="32" alt="@github-actions"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/github-actions" rel="noreferrer">github-actions[bot]</a> <span class="Label Label--secondary">Bot</span> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/NMRLipids.github.io" rel="noreferrer">NMRLipids/NMRLipids.github.io</a> <span> · <relative-time tense="past" datetime="2026-10-14T01:17:06Z" data-view-component="true">October 14, 2026 01:17</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>1 commit to</span> <a class="branch-name" href="/NMRLipids/NMRLipids.github.io/tree/main" rel="noreferrer">main</a> <div class="commits "> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <img class="mr-1 avatar-user" width="16" height="16" alt="" src="https://camo.githubusercontent.com/37418aa4189665c2e3437cdb971e2f54f7c263df4a94d3b930d8a8738d88d93f/68747470733a2f2f322e67726176617461722e636f6d2f6176617461722f66353235343735373466363264323331356536303636396332643464636562643f643d68747470732533412532462532466769746875622e6769746875626173736574732e636f6d253246696d6167657325324667726176617461727325324667726176617461722d757365722d3432302e706e6726723d6726733d313430" data-canonical-src="https://2.gravatar.com/avatar/f52547574f62d2315e60669c2d4dcebd?d=https%3A%2F%2Fgithub.githubassets.com%2Fimages%2Fgravatars%2Fgravatar-user-420.png&amp;r=g&amp;s=140"> </span> <code><a class="mr-1" href="/NMRLipids/NMRLipids.github.io/commit/809770b2a6593cb0381222a779ef71e6a9289438" rel="noreferrer">809770b</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Zenodo stats </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24057649908 2026-10-13 13:56:37 UTC 2026-10-13 13:56:37 UTC simulation-addition-admin[bot] https://github.com/simulation-addition-admin[bot] <div class="git-branch js-feed-item-view"><div class="body"> <!-- create --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/simulation-addition-admin" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/1770733?s=64&amp;v=4" width="32" height="32" alt="@simulation-addition-admin"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/simulation-addition-admin" rel="noreferrer">simulation-addition-admin[bot]</a> <span class="Label Label--secondary">Bot</span> created a branch in <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/UserData" rel="noreferrer">NMRLipids/UserData</a> <span> · <relative-time tense="past" datetime="2026-10-13T13:56:37Z" data-view-component="true">October 13, 2026 13:56</relative-time> </span> </div> </div> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <div> <div class="f4 lh-condensed text-bold color-fg-default"> <div class="d-inline-block"> <div class="d-flex"> <div class="mr-2"> <a class="d-flex" data-hovercard-type="organization" data-hovercard-url="/orgs/NMRLipids/hovercard" data-octo-click="hovercard-link-click" data-octo-dimensions="link_type:self" href="/NMRLipids" rel="noreferrer"><img src="https://avatars.githubusercontent.com/u/9036099?s=40&amp;v=4" alt="@NMRLipids" size="20" height="20" width="20" data-view-component="true" class="avatar avatar-small"></a> </div> <div class="d-inline-block"> <a class="css-truncate css-truncate-target branch-name v-align-middle" title="refs/heads/bot/info_yaml_20261013135635" href="https://github.com/NMRLipids/UserData/tree/refs/heads/bot/info_yaml_20261013135635" rel="noreferrer">refs/heads/bot/info_yaml_20261013135635</a> in <a class="Link--primary text-bold no-underline wb-break-all d-inline-block" href="/NMRLipids/UserData" rel="noreferrer">NMRLipids/UserData</a> </div> </div> </div> </div> <p class="f6 color-fg-muted mt-2 mb-0"> <span>Updated Oct 13</span> </p> </div> </div> </div> </div> </div></div> tag:github.com,2008:push/24054550234 2026-10-13 13:19:25 UTC 2026-10-13 13:19:25 UTC simulation-addition-admin[bot] https://github.com/simulation-addition-admin[bot] <div class="repo-push js-feed-item-view"><div class="body"> <!-- push --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/simulation-addition-admin" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/1770733?s=64&amp;v=4" width="32" height="32" alt="@simulation-addition-admin"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/simulation-addition-admin" rel="noreferrer">simulation-addition-admin[bot]</a> <span class="Label Label--secondary">Bot</span> pushed to <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/UserData" rel="noreferrer">NMRLipids/UserData</a> <span> · <relative-time tense="past" datetime="2026-10-13T13:19:25Z" data-view-component="true">October 13, 2026 13:19</relative-time> </span> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <span>2 commits to</span> <a class="branch-name" href="/NMRLipids/UserData/tree/main" rel="noreferrer">main</a> <div class="commits "> <ul class="list-style-none"> <li class="d-flex flex-items-baseline"> <span> <a class="d-inline-block" href="/korbinib" rel="noreferrer"><img class="mr-1 avatar-user" src="https://avatars.githubusercontent.com/u/58505673?s=32&amp;v=4" width="16" height="16" alt="@korbinib"></a> </span> <code><a class="mr-1" href="/NMRLipids/UserData/commit/bb29ece0654d261d0d4d44e767c3030b1e08376f" rel="noreferrer">bb29ece</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Add lipidmaps identifier to TMCL metadata </blockquote> </div> </li> <li class="d-flex flex-items-baseline"> <span> <img class="mr-1 avatar-user" width="16" height="16" alt="" src="https://camo.githubusercontent.com/68b64b5cf64449691fc9aade46d7df5fce224c5b194eef76ce2dacacbc027260/68747470733a2f2f302e67726176617461722e636f6d2f6176617461722f31363332313131326630633934326239366562636237333632613430323531323f643d68747470732533412532462532466769746875622e6769746875626173736574732e636f6d253246696d6167657325324667726176617461727325324667726176617461722d757365722d3432302e706e6726723d6726733d313430" data-canonical-src="https://0.gravatar.com/avatar/16321112f0c942b96ebcb7362a402512?d=https%3A%2F%2Fgithub.githubassets.com%2Fimages%2Fgravatars%2Fgravatar-user-420.png&amp;r=g&amp;s=140"> </span> <code><a class="mr-1" href="/NMRLipids/UserData/commit/9e553c00fd5529091e8519d08c979d906ac99cdc" rel="noreferrer">9e553c0</a></code> <div class="dashboard-break-word lh-condensed"> <blockquote> Fix CheckMetadataSchema: use molecule_schema.json </blockquote> </div> </li> </ul> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_created/17247725239 2026-10-14 14:26:31 -0700 2026-10-14 14:26:31 -0700 github-actions[bot] https://github.com/github-actions[bot] <div class="git-merge js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/github-actions" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/15368?s=64&amp;v=4" width="32" height="32" alt="@github-actions"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/github-actions" rel="noreferrer">github-actions[bot]</a> <span class="Label Label--secondary">Bot</span> opened <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/BilayerData#616" href="https://github.com/NMRLipids/BilayerData/pull/616" rel="noreferrer">NMRLipids/BilayerData#616</a> <span> · <relative-time tense="past" datetime="2026-10-14T14:26:31-07:00" data-view-component="true">October 14, 2026 14:26</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request merge d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Global simulation analysis after simulation addition" href="https://github.com/NMRLipids/BilayerData/pull/616" rel="noreferrer">Global simulation analysis after simulation addition</a></span> <span class="f4 color-fg-muted ml-1">#616</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto">This PR automatically runs the global analysis scripts:<br> - match simulations to experiments<br> - evaluate qualitites<br> - make ranking tables<br> Triggered by…</p> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+189</span> <span class="color-fg-danger">-6</span> </div> <div class="d-inline-block f6 color-fg-muted tmp-ml-3"> 1 comment </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_merged/17247515117 2026-10-14 14:23:44 -0700 2026-10-14 14:23:44 -0700 github-actions[bot] https://github.com/github-actions[bot] <div class="git-merge js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/github-actions" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/15368?s=64&amp;v=4" width="32" height="32" alt="@github-actions"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/github-actions" rel="noreferrer">github-actions[bot]</a> <span class="Label Label--secondary">Bot</span> merged <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/BilayerData#615" href="https://github.com/NMRLipids/BilayerData/pull/615" rel="noreferrer">NMRLipids/BilayerData#615</a> <span> · <relative-time tense="past" datetime="2026-10-14T14:23:44-07:00" data-view-component="true">October 14, 2026 14:23</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request merge d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Update IDs after commit 59f0fbdce6d387a28cfadc7d37d6754063c6556e" href="https://github.com/NMRLipids/BilayerData/pull/615" rel="noreferrer">Update IDs after commit 59f0fbdce6d387a28cfadc7d37d6754063c6556e</a></span> <span class="f4 color-fg-muted ml-1">#615</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto">Generated new IDs for duplicates or new systems at <a class="commit-link" data-hovercard-type="commit" data-hovercard-url="https://github.com/NMRLipids/BilayerData/commit/59f0fbdce6d387a28cfadc7d37d6754063c6556e/hovercard" href="https://github.com/NMRLipids/BilayerData/commit/59f0fbdce6d387a28cfadc7d37d6754063c6556e" rel="noreferrer"><tt>59f0fbd</tt></a>.<br> Auto-generated by <a href="https://github.com/peter-evans/create-pull-request" rel="noreferrer">create-pull-request</a></p> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+2</span> <span class="color-fg-danger">-2</span> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:issue_labeled/17247341234 2026-10-14 14:21:31 -0700 2026-10-14 14:21:31 -0700 comcon1 https://github.com/comcon1 <div class="issues_labeled js-feed-item-view"><div class="body"> <!-- issues --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="d-flex flex-items-baseline mb-2"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/comcon1" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/25392312?s=64&amp;v=4" width="32" height="32" alt="@comcon1"></a></span> <a class="Link--primary no-underline wb-break-all" href="/comcon1" rel="noreferrer">comcon1</a> labeled an issue with <span id="label-a131cb" style="--label-r:0;--label-g:134;--label-b:114;--label-h:171;--label-s:100;--label-l:26;" data-view-component="true" class="IssueLabel hx_IssueLabel"> help wanted </span> in <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/FAIRMD_lipids" rel="noreferrer">NMRLipids/FAIRMD_lipids</a> <span> · <relative-time tense="past" datetime="2026-10-14T14:21:31-07:00" data-view-component="true">October 14, 2026 14:21</relative-time> </span> </div> </div> <div class="Box tmp-p-3 wb-break-all color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Issue" class="octicon octicon-issue-opened open d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M8 9.5a1.5 1.5 0 1 0 0-3 1.5 1.5 0 0 0 0 3Z"></path><path d="M8 0a8 8 0 1 1 0 16A8 8 0 0 1 8 0ZM1.5 8a6.5 6.5 0 1 0 13 0 6.5 6.5 0 0 0-13 0Z"></path></svg> <div class="tmp-ml-4"> <span class="f4 lh-condensed text-bold color-fg-default"> <a title="Reorganizing the branches" class="color-fg-default" aria-label="Reorganizing the branches" href="/NMRLipids/FAIRMD_lipids/issues/550" rel="noreferrer">Reorganizing the branches</a> </span> <span class="f4 color-fg-muted ml-1">#550</span> <div class="dashboard-break-word lh-condensed mb-2 mt-1"> I suggest we add an additional 'development' branch to the current repo that contains the release candidate code changes. Please ignore the below i… </div> <div class="f6 color-fg-muted mt-1"> 1 comment </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_merged/17243303971 2026-10-14 13:31:21 -0700 2026-10-14 13:31:21 -0700 comcon1 https://github.com/comcon1 <div class="git-merge js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/comcon1" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/25392312?s=64&amp;v=4" width="32" height="32" alt="@comcon1"></a></span> <a class="Link--primary no-underline wb-break-all" href="/comcon1" rel="noreferrer">comcon1</a> merged <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/FAIRMD_lipids#541" href="https://github.com/NMRLipids/FAIRMD_lipids/pull/541" rel="noreferrer">NMRLipids/FAIRMD_lipids#541</a> <span> · <relative-time tense="past" datetime="2026-10-14T13:31:21-07:00" data-view-component="true">October 14, 2026 13:31</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request merge d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Create OP drawing function working properly with Naming Registry" href="https://github.com/NMRLipids/FAIRMD_lipids/pull/541" rel="noreferrer">Create OP drawing function working properly with Naming Registry</a></span> <span class="f4 color-fg-muted ml-1">#541</span> <div class="lh-condensed mb-2 mt-1"> <ul dir="auto"> <li>Old OP functions are wiped off</li> <li>OP function based on nice_opdict is added</li> <li>OP and FF now plot simulation only if experiments are not paired and dont…</li> </ul> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+258</span> <span class="color-fg-danger">-322</span> </div> <div class="d-inline-block f6 color-fg-muted tmp-ml-3"> 27 comments </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_merged/17243076731 2026-10-14 13:28:49 -0700 2026-10-14 13:28:49 -0700 simulation-addition-helper[bot] https://github.com/simulation-addition-helper[bot] <div class="git-merge js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/apps/simulation-addition-helper" rel="noreferrer"><img class="avatar" src="https://avatars.githubusercontent.com/in/1584817?s=64&amp;v=4" width="32" height="32" alt="@simulation-addition-helper"></a></span> <a class="Link--primary no-underline wb-break-all" href="/apps/simulation-addition-helper" rel="noreferrer">simulation-addition-helper[bot]</a> <span class="Label Label--secondary">Bot</span> merged <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/BilayerData#613" href="https://github.com/NMRLipids/BilayerData/pull/613" rel="noreferrer">NMRLipids/BilayerData#613</a> <span> · <relative-time tense="past" datetime="2026-10-14T13:28:49-07:00" data-view-component="true">October 14, 2026 13:28</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request merge d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Upload Portal: Simulation files from Emilie Fjeldberg Taule" href="https://github.com/NMRLipids/BilayerData/pull/613" rel="noreferrer">Upload Portal: Simulation files from Emilie Fjeldberg Taule</a></span> <span class="f4 color-fg-muted ml-1">#613</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto">This PR contains simulation files uploaded by <a class="user-mention notranslate" data-hovercard-type="user" data-hovercard-url="/users/eta025/hovercard" data-octo-click="hovercard-link-click" data-octo-dimensions="link_type:self" href="https://github.com/eta025" rel="noreferrer">@eta025</a> through the NMRlipids upload portal.</p> <p dir="auto">Processing of simulation data will happen after approval.</p> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+18,109</span> <span class="color-fg-danger">-0</span> </div> <div class="d-inline-block f6 color-fg-muted tmp-ml-3"> 1 comment </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_closed/17208003848 2026-10-14 07:01:27 -0700 2026-10-14 07:01:27 -0700 batukav https://github.com/batukav <div class="git-pull-request-closed js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/batukav" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/7993653?s=64&amp;v=4" width="32" height="32" alt="@batukav"></a></span> <a class="Link--primary no-underline wb-break-all" href="/batukav" rel="noreferrer">batukav</a> closed <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/FAIRMD_lipids#549" href="https://github.com/NMRLipids/FAIRMD_lipids/pull/549" rel="noreferrer">NMRLipids/FAIRMD_lipids#549</a> <span> · <relative-time tense="past" datetime="2026-10-14T07:01:27-07:00" data-view-component="true">October 14, 2026 07:01</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request pull-request-closed d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="fix: import IPython lazily in ipylib" href="https://github.com/NMRLipids/FAIRMD_lipids/pull/549" rel="noreferrer">fix: import IPython lazily in ipylib</a></span> <span class="f4 color-fg-muted ml-1">#549</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto"><span class="issue-keyword tooltipped tooltipped-se" aria-label="This pull request closes issue #548.">Closes</span> <a class="issue-link js-issue-link" data-error-text="Failed to load title" data-id="5846110958" data-permission-text="Title is private" data-url="https://github.com/NMRLipids/FAIRMD_lipids/issues/548" data-hovercard-type="issue" data-hovercard-url="/NMRLipids/FAIRMD_lipids/issues/548/hovercard" href="https://github.com/NMRLipids/FAIRMD_lipids/issues/548" rel="noreferrer">#548</a>.</p> <p dir="auto">Moves the <code class="notranslate">IPython.display</code> import into the deprecated <code class="notranslate">plotSimulation</code>, the only place that uses it, so <code class="notranslate">import fairmd.lipids.ipylib</code> works…</p> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+286</span> <span class="color-fg-danger">-322</span> </div> <div class="d-inline-block f6 color-fg-muted tmp-ml-3"> 2 comments </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:issue_created/17198020508 2026-10-14 05:32:36 -0700 2026-10-14 05:32:36 -0700 batukav https://github.com/batukav <div class="issues_opened js-feed-item-view"><div class="body"> <!-- issues --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="d-flex flex-items-baseline mb-2"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/batukav" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/7993653?s=64&amp;v=4" width="32" height="32" alt="@batukav"></a></span> <a class="Link--primary no-underline wb-break-all" href="/batukav" rel="noreferrer">batukav</a> opened an issue in <a class="Link--primary no-underline wb-break-all" href="/NMRLipids/databank-template" rel="noreferrer">NMRLipids/databank-template</a> <span> · <relative-time tense="past" datetime="2026-10-14T05:32:36-07:00" data-view-component="true">October 14, 2026 05:32</relative-time> </span> </div> </div> <div class="Box tmp-p-3 wb-break-all color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Issue" class="octicon octicon-issue-opened open d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M8 9.5a1.5 1.5 0 1 0 0-3 1.5 1.5 0 0 0 0 3Z"></path><path d="M8 0a8 8 0 1 1 0 16A8 8 0 0 1 8 0ZM1.5 8a6.5 6.5 0 1 0 13 0 6.5 6.5 0 0 0-13 0Z"></path></svg> <div class="tmp-ml-4"> <span class="f4 lh-condensed text-bold color-fg-default"> <a title="plot_tools.py breaks with the next fairmd-lipids release" class="color-fg-default" aria-label="plot_tools.py breaks with the next fairmd-lipids release" href="/NMRLipids/databank-template/issues/26" rel="noreferrer">plot_tools.py breaks with the next fairmd-lipids release</a> </span> <span class="f4 color-fg-muted ml-1">#26</span> <div class="dashboard-break-word lh-condensed mb-2 mt-1"> The `plotSimulation` helper in `scripts/plot_tools.py` imports `plotFormFactor` and `plotOrderParameters` from `fairmd.lipids.ipylib`. Those are go… </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_created/17188356716 2026-10-14 03:30:21 -0700 2026-10-14 03:30:21 -0700 batukav https://github.com/batukav <div class="git-pull-request js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/batukav" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/7993653?s=64&amp;v=4" width="32" height="32" alt="@batukav"></a></span> <a class="Link--primary no-underline wb-break-all" href="/batukav" rel="noreferrer">batukav</a> opened <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/databank-template#27" href="https://github.com/NMRLipids/databank-template/pull/27" rel="noreferrer">NMRLipids/databank-template#27</a> <span> · <relative-time tense="past" datetime="2026-10-14T03:30:21-07:00" data-view-component="true">October 14, 2026 03:30</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request pull-request d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Use the new ipylib plotting API in plot_tools" href="https://github.com/NMRLipids/databank-template/pull/27" rel="noreferrer">Use the new ipylib plotting API in plot_tools</a></span> <span class="f4 color-fg-muted ml-1">#27</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto"><span class="issue-keyword tooltipped tooltipped-se" aria-label="This pull request closes issue #26.">Closes</span> <a class="issue-link js-issue-link" data-error-text="Failed to load title" data-id="5846111278" data-permission-text="Title is private" data-url="https://github.com/NMRLipids/databank-template/issues/26" data-hovercard-type="issue" data-hovercard-url="/NMRLipids/databank-template/issues/26/hovercard" href="https://github.com/NMRLipids/databank-template/issues/26" rel="noreferrer">#26</a>.</p> <p dir="auto"><code class="notranslate">plotSimulation</code> in <code class="notranslate">scripts/plot_tools.py</code> now delegates to <code class="notranslate">plot_simulation_FF</code> / <code class="notranslate">plot_simulation_OP</code> when they exist (fairmd-lipids &gt; 1.6).…</p> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+27</span> <span class="color-fg-danger">-1</span> </div> </div> </div> </div> </div> </div></div> tag:github.com,2008:ForkEvent/17187991431 2026-10-14 03:25:27 -0700 2026-10-14 03:25:27 -0700 batukav https://github.com/batukav <div class="fork js-feed-item-view"><div class="body"> <!-- fork --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/batukav" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/7993653?s=64&amp;v=4" width="32" height="32" alt="@batukav"></a></span> <a class="Link--primary no-underline wb-break-all" href="/batukav" rel="noreferrer">batukav</a> forked <a class="Link--primary no-underline wb-break-all" title="NMRLipids/databank-template" href="/NMRLipids/databank-template" rel="noreferrer">NMRLipids/databank-template</a> from <a class="Link--primary no-underline wb-break-all" href="/batukav/databank-template" rel="noreferrer">batukav/databank-template</a> <span> · <relative-time tense="past" datetime="2026-10-14T03:25:27-07:00" data-view-component="true">October 14, 2026 03:25</relative-time> </span> </div> </div> <div class="Box tmp-p-3 mt-2 color-shadow-medium color-bg-overlay"> <div> <div class="f4 lh-condensed text-bold color-fg-default"> <a class="Link--primary text-bold no-underline wb-break-all d-inline-block" href="/batukav/databank-template" rel="noreferrer">batukav/databank-template</a> </div> <div class="dashboard-break-word color-fg-muted mt-1 repo-description"> <p>Template for using the NMRlipids databank</p> </div> <p class="f6 color-fg-muted mt-2 mb-0"> <span>Updated Oct 14</span> </p> </div> </div> </div> </div> </div></div> tag:github.com,2008:pr_merged/17153344163 2026-10-13 16:47:02 -0700 2026-10-13 16:47:02 -0700 MagnusSletten magnus_sletten@outlook.com https://github.com/MagnusSletten <div class="git-merge js-feed-item-view"><div class="body"> <!-- pull_request --> <div class="d-flex flex-items-baseline tmp-py-4"> <div class="d-flex flex-column width-full"> <div> <div class="d-flex flex-items-baseline"> <div class="color-fg-muted"> <span class="mr-2"><a class="d-inline-block" href="/MagnusSletten" rel="noreferrer"><img class="avatar avatar-user" src="https://avatars.githubusercontent.com/u/171813737?s=64&amp;v=4" width="32" height="32" alt="@MagnusSletten"></a></span> <a class="Link--primary no-underline wb-break-all" href="/MagnusSletten" rel="noreferrer">MagnusSletten</a> merged <a class="Link--primary no-underline wb-break-all" aria-label="NMRLipids/BilayerData#614" href="https://github.com/NMRLipids/BilayerData/pull/614" rel="noreferrer">NMRLipids/BilayerData#614</a> <span> · <relative-time tense="past" datetime="2026-10-13T16:47:02-07:00" data-view-component="true">October 13, 2026 16:47</relative-time> </span> </div> </div> </div> <div class="Box tmp-p-3 my-2 color-shadow-medium color-bg-overlay"> <svg data-component="Octicon" height="16" aria-label="Pull request" class="octicon octicon-git-pull-request merge d-inline-block mt-1 float-left" viewBox="0 0 16 16" version="1.1" width="16" role="img"><path d="M1.5 3.25a2.25 2.25 0 1 1 3 2.122v5.256a2.251 2.251 0 1 1-1.5 0V5.372A2.25 2.25 0 0 1 1.5 3.25Zm5.677-.177L9.573.677A.25.25 0 0 1 10 .854V2.5h1A2.5 2.5 0 0 1 13.5 5v5.628a2.251 2.251 0 1 1-1.5 0V5a1 1 0 0 0-1-1h-1v1.646a.25.25 0 0 1-.427.177L7.177 3.427a.25.25 0 0 1 0-.354ZM3.75 2.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm0 9.5a.75.75 0 1 0 0 1.5.75.75 0 0 0 0-1.5Zm8.25.75a.75.75 0 1 0 1.5 0 .75.75 0 0 0-1.5 0Z"></path></svg> <div class="tmp-ml-4"> <div> <span class="f4 lh-condensed text-bold color-fg-default"><a class="color-fg-default text-bold" aria-label="Add mappingOPC_amber.yaml" href="https://github.com/NMRLipids/BilayerData/pull/614" rel="noreferrer">Add mappingOPC_amber.yaml</a></span> <span class="f4 color-fg-muted ml-1">#614</span> <div class="lh-condensed mb-2 mt-1"> <p dir="auto">New mapping file which should be needed in <a class="issue-link js-issue-link" data-error-text="Failed to load title" data-id="5831637943" data-permission-text="Title is private" data-url="https://github.com/NMRLipids/BilayerData/issues/613" data-hovercard-type="pull_request" data-hovercard-url="/NMRLipids/BilayerData/pull/613/hovercard" href="https://github.com/NMRLipids/BilayerData/pull/613" rel="noreferrer">#613</a>.</p> <p dir="auto">Part of the gro file for the sim specific names:</p> <div class="snippet-clipboard-content notranslate position-relative overflow-auto" data-snippet-clipboard-copy-content=" 1163OPC EPW 9204 0.270 1.748 7.959 1164OPC O 9205 1.416 1.310 1.698 1164OPC H1 9206 1.360 1.376 1.712 1164OPC H2 9207 1.437 1.319 1.613 1164OPC EPW 9208 1.411 1.321 1.687"><pre class="notranslate"><code class="notranslate"> 1163OPC EPW 9204 0.270 1.748 7.959 116…</code></pre></div> </div> </div> <div class="diffstat d-inline-block mt-1"> <span class="color-fg-success">+8</span> <span class="color-fg-danger">-0</span> </div> <div class="d-inline-block f6 color-fg-muted tmp-ml-3"> 2 comments </div> </div> </div> </div> </div> </div></div>