{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":338958736,"defaultBranch":"main","name":"python-scripting-biochemistry","ownerLogin":"MolSSI-Education","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2021-02-15T03:36:44.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/30236893?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1718724040.0","currentOid":""},"activityList":{"items":[{"before":"8447608dd65e396981062094152959d083ed3645","after":null,"ref":"refs/heads/enzyme-edits","pushedAt":"2024-06-18T15:20:40.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"}},{"before":null,"after":"8447608dd65e396981062094152959d083ed3645","ref":"refs/heads/enzyme-edits","pushedAt":"2024-06-18T15:20:04.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"Change file writing/printing for ligand files","shortMessageHtmlLink":"Change file writing/printing for ligand files"}},{"before":"36e684b612734bab2de36b15126bb05bd4ee3af6","after":"9ee5ce2f7ad69884b46486eedf443270f00b1625","ref":"refs/heads/gh-pages","pushedAt":"2024-06-10T19:41:49.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: bd9ceff483d63b3a11913ece2b8ea338763ed998","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/bd9ceff483d63b3a11913ece2b8ea338763ed998/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/bd9ceff483d63b3a11913ece2b8ea338763ed998\"><tt>bd9ceff</tt></a>"}},{"before":"98b6ac2c14ca6ad83008f037469ed8772771c5af","after":"bd9ceff483d63b3a11913ece2b8ea338763ed998","ref":"refs/heads/main","pushedAt":"2024-06-10T19:40:04.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"remove unneeded depencencies","shortMessageHtmlLink":"remove unneeded depencencies"}},{"before":"e3ee7811299eb451f6831682ad828f5d0bb7723e","after":"98b6ac2c14ca6ad83008f037469ed8772771c5af","ref":"refs/heads/main","pushedAt":"2024-06-10T19:38:12.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"update requirements.yaml Python version","shortMessageHtmlLink":"update requirements.yaml Python version"}},{"before":"4f7f1d4e113791a9db89c0cf288d24423805a231","after":"e3ee7811299eb451f6831682ad828f5d0bb7723e","ref":"refs/heads/main","pushedAt":"2024-06-10T19:36:34.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"switch to Python version on chemcompute","shortMessageHtmlLink":"switch to Python version on chemcompute"}},{"before":"4e98a015d7c6d8d11792d314701692f080fe4d2d","after":"4f7f1d4e113791a9db89c0cf288d24423805a231","ref":"refs/heads/main","pushedAt":"2024-06-10T19:11:19.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"May2024 - new files for the IQB workshop (#32)\n\n* eliminated one variable in the final cell\r\n\r\n* added an exercise for the workshop and homework\r\n\r\n* starting a notebook on small molecules\r\n\r\n* first draft of the search for trypsin ligands\r\n\r\n* second image for the EC_class_ligands_search notebook\r\n\r\n* first image for the EC_class_ligands_search notebook\r\n\r\n* latest update with Jessica's suggested changes\r\n\r\n* a ligand file for the EC_Class notebook\r\n\r\n* images for the new notebooks\r\n\r\n* first attempt at ligand modification\r\n\r\n* optimize in 3D and print 3D sdf files\r\n\r\n* ligand 13U and 3 modified ligands in 3D\r\n\r\n* Exploring AllChem MMFF\r\n\r\n* changed the ligand to be used in the rdkit notebook\r\n\r\n* fully functional notebook with glucose and ATP test cases\r\n\r\n* restarted notebooks and cleared all outputs\r\n\r\n* restarted and cleared all output\r\n\r\n* Adds notebook to TOC, adds missing image\r\n\r\n---------\r\n\r\nCo-authored-by: Jessica Nash <janash@vt.edu>","shortMessageHtmlLink":"May2024 - new files for the IQB workshop (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2315897355\" data-permission-text=\"Title is private\" data-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/issues/32\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/MolSSI-Education/python-scripting-biochemistry/pull/32/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/pull/32\">#32</a>)"}},{"before":"1a7a7f8687cc12037c4776d0c1347f9a7616d50b","after":"36e684b612734bab2de36b15126bb05bd4ee3af6","ref":"refs/heads/gh-pages","pushedAt":"2024-01-03T16:02:28.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: 4e98a015d7c6d8d11792d314701692f080fe4d2d","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/4e98a015d7c6d8d11792d314701692f080fe4d2d/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/4e98a015d7c6d8d11792d314701692f080fe4d2d\"><tt>4e98a01</tt></a>"}},{"before":"b885dc28d1367559cf799c7614f1331c61694773","after":"4e98a015d7c6d8d11792d314701692f080fe4d2d","ref":"refs/heads/main","pushedAt":"2024-01-03T16:00:57.000Z","pushType":"pr_merge","commitsCount":3,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"Merge pull request #31 from MolSSI-Education/update-theme-analytics\n\nupdate theme analytics","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2064272509\" data-permission-text=\"Title is private\" data-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/issues/31\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/MolSSI-Education/python-scripting-biochemistry/pull/31/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/pull/31\">#31</a> from MolSSI-Education/update-theme-analytics"}},{"before":null,"after":"9dcf6cb691bc6f59e9a4df035f616fffaa6faa09","ref":"refs/heads/update-theme-analytics","pushedAt":"2024-01-03T15:58:29.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"update config","shortMessageHtmlLink":"update config"}},{"before":"33ba129ac238856030b6a9517254b8c69194ef23","after":"1a7a7f8687cc12037c4776d0c1347f9a7616d50b","ref":"refs/heads/gh-pages","pushedAt":"2023-04-30T19:53:17.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"Add files via upload","shortMessageHtmlLink":"Add files via upload"}},{"before":"16968b764a5753dfea7574997899142940f224cb","after":"33ba129ac238856030b6a9517254b8c69194ef23","ref":"refs/heads/gh-pages","pushedAt":"2023-04-30T19:34:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: b885dc28d1367559cf799c7614f1331c61694773","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/b885dc28d1367559cf799c7614f1331c61694773/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/b885dc28d1367559cf799c7614f1331c61694773\"><tt>b885dc2</tt></a>"}},{"before":"6e9e4c290b3ac7e2db06b7374d3a5ede21ec9427","after":"b885dc28d1367559cf799c7614f1331c61694773","ref":"refs/heads/main","pushedAt":"2023-04-30T19:32:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"move logo images","shortMessageHtmlLink":"move logo images"}},{"before":"03f99b66ac8f2edd000cf8cfaf8936d2c68355c7","after":null,"ref":"refs/heads/admonitions","pushedAt":"2023-04-30T19:15:25.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"}},{"before":"edda1e0950949f830a54c2004a8216f3e09fab66","after":null,"ref":"refs/heads/paulcraig-main","pushedAt":"2023-04-30T19:15:23.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"}},{"before":"f8f7982b4be9a169d1e8c5a4406f164f0cb324f9","after":null,"ref":"refs/heads/janash-micromamba","pushedAt":"2023-04-30T19:15:21.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"}},{"before":"396c0f0d2fb28dc5ed53f61468026611be345796","after":null,"ref":"refs/heads/biopython-lesson","pushedAt":"2023-04-30T19:15:18.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"}},{"before":"de01003f964d6b228cd1e1a23d995f924381a169","after":"16968b764a5753dfea7574997899142940f224cb","ref":"refs/heads/gh-pages","pushedAt":"2023-04-30T15:48:40.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: 6e9e4c290b3ac7e2db06b7374d3a5ede21ec9427","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/6e9e4c290b3ac7e2db06b7374d3a5ede21ec9427/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/6e9e4c290b3ac7e2db06b7374d3a5ede21ec9427\"><tt>6e9e4c2</tt></a>"}},{"before":"162e55f814eea97e0f6fe0556b29806ed39a7250","after":"6e9e4c290b3ac7e2db06b7374d3a5ede21ec9427","ref":"refs/heads/main","pushedAt":"2023-04-30T15:47:04.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"Merge pull request #30 from MolSSI-Education/molssi-theme\n\nupdate theme","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1689968278\" data-permission-text=\"Title is private\" data-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/issues/30\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/MolSSI-Education/python-scripting-biochemistry/pull/30/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/pull/30\">#30</a> from MolSSI-Education/molssi-theme"}},{"before":null,"after":"9dfbf25c9d37561b2aacb553aaff087a2ca84df2","ref":"refs/heads/molssi-theme","pushedAt":"2023-04-30T15:45:59.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"update theme","shortMessageHtmlLink":"update theme"}},{"before":"ba7e557c8629d4120c295f1ef547d5db6d627842","after":"de01003f964d6b228cd1e1a23d995f924381a169","ref":"refs/heads/gh-pages","pushedAt":"2023-04-24T17:43:09.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: 162e55f814eea97e0f6fe0556b29806ed39a7250","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/162e55f814eea97e0f6fe0556b29806ed39a7250/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/162e55f814eea97e0f6fe0556b29806ed39a7250\"><tt>162e55f</tt></a>"}},{"before":"3be6680af8c7dfc33f21658452e24f33a15ce89e","after":"162e55f814eea97e0f6fe0556b29806ed39a7250","ref":"refs/heads/main","pushedAt":"2023-04-24T17:41:05.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"Merge pull request #29 from MolSSI-Education/visualization-fix\n\nfixed the display issue for visualization page","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1681741339\" data-permission-text=\"Title is private\" data-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/issues/29\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/MolSSI-Education/python-scripting-biochemistry/pull/29/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/pull/29\">#29</a> from MolSSI-Education/visualization-fix"}},{"before":null,"after":"88c7996e6f445b86fa68e08259016a308dadb3b7","ref":"refs/heads/visualization-fix","pushedAt":"2023-04-24T17:37:31.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"jchen0506","name":"Jing Chen","path":"/jchen0506","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/46823503?s=80&v=4"},"commit":{"message":"fixed the display issue for visualization page","shortMessageHtmlLink":"fixed the display issue for visualization page"}},{"before":null,"after":"518c758d623e75720c4a2c058c4026f6c7a352d7","ref":"refs/heads/vis-page-fix","pushedAt":"2023-04-24T17:23:14.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"jchen0506","name":"Jing Chen","path":"/jchen0506","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/46823503?s=80&v=4"},"commit":{"message":"Fix the display issue for the exercise at the end","shortMessageHtmlLink":"Fix the display issue for the exercise at the end"}},{"before":"447c677a6fb7adf4531ce502d23525718c82a206","after":"ba7e557c8629d4120c295f1ef547d5db6d627842","ref":"refs/heads/gh-pages","pushedAt":"2023-04-20T14:51:34.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: 3be6680af8c7dfc33f21658452e24f33a15ce89e","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/3be6680af8c7dfc33f21658452e24f33a15ce89e/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/3be6680af8c7dfc33f21658452e24f33a15ce89e\"><tt>3be6680</tt></a>"}},{"before":"9c9d657204a1c463fc4aa5eb0d64cefb5b42ef4c","after":"3be6680af8c7dfc33f21658452e24f33a15ce89e","ref":"refs/heads/main","pushedAt":"2023-04-20T14:49:01.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"remove extra div","shortMessageHtmlLink":"remove extra div"}},{"before":"6b2d50eb2e8e6dac3aac7e91a833074ccd0d1b8d","after":"447c677a6fb7adf4531ce502d23525718c82a206","ref":"refs/heads/gh-pages","pushedAt":"2023-04-18T19:46:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: 9c9d657204a1c463fc4aa5eb0d64cefb5b42ef4c","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/9c9d657204a1c463fc4aa5eb0d64cefb5b42ef4c/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/9c9d657204a1c463fc4aa5eb0d64cefb5b42ef4c\"><tt>9c9d657</tt></a>"}},{"before":"66efa63131227aa4a6b83c9bb830412afc58ba0f","after":"9c9d657204a1c463fc4aa5eb0d64cefb5b42ef4c","ref":"refs/heads/main","pushedAt":"2023-04-18T19:44:17.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"Update requirements.yaml","shortMessageHtmlLink":"Update requirements.yaml"}},{"before":"77d12c6ae3b999a37d3683c1163e230ff5e0c2b8","after":"6b2d50eb2e8e6dac3aac7e91a833074ccd0d1b8d","ref":"refs/heads/gh-pages","pushedAt":"2023-04-18T19:23:19.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"deploy: 66efa63131227aa4a6b83c9bb830412afc58ba0f","shortMessageHtmlLink":"deploy: <a class=\"commit-link\" data-hovercard-type=\"commit\" data-hovercard-url=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/66efa63131227aa4a6b83c9bb830412afc58ba0f/hovercard\" href=\"https://github.com/MolSSI-Education/python-scripting-biochemistry/commit/66efa63131227aa4a6b83c9bb830412afc58ba0f\"><tt>66efa63</tt></a>"}},{"before":"5aa715be5a9f8676d27527f70a0779d95bbb9e1c","after":"66efa63131227aa4a6b83c9bb830412afc58ba0f","ref":"refs/heads/main","pushedAt":"2023-04-18T19:21:06.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janash","name":"Jessica A. Nash","path":"/janash","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/18010556?s=80&v=4"},"commit":{"message":"try updating css for overview admonitions","shortMessageHtmlLink":"try updating css for overview admonitions"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEaJ9GqQA","startCursor":null,"endCursor":null}},"title":"Activity · MolSSI-Education/python-scripting-biochemistry"}