{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":753289556,"defaultBranch":"main","name":"chembl","ownerLogin":"DKchemistry","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2024-02-05T20:39:05.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/81147591?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1707165592.0","currentOid":""},"activityList":{"items":[{"before":"63a6a6b1e9c3426617ce22b6740aa8c2b7c174e2","after":"ee6d03ea50bafa85a044239bc90c247ce0616646","ref":"refs/heads/main","pushedAt":"2024-06-06T16:14:01.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"torsion notebooks run with corrected EF","shortMessageHtmlLink":"torsion notebooks run with corrected EF"}},{"before":"ecea4644a20f5f5b50980936d70e4783b88260a5","after":"63a6a6b1e9c3426617ce22b6740aa8c2b7c174e2","ref":"refs/heads/main","pushedAt":"2024-06-06T09:56:31.000Z","pushType":"push","commitsCount":7,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"torsion notebooks run with corrected EF","shortMessageHtmlLink":"torsion notebooks run with corrected EF"}},{"before":"3b99dbdce44e6fa4cc44a023d7ee663165c76ea7","after":"ecea4644a20f5f5b50980936d70e4783b88260a5","ref":"refs/heads/main","pushedAt":"2024-06-03T14:46:38.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"initial freeform combined data analysis","shortMessageHtmlLink":"initial freeform combined data analysis"}},{"before":"39f822d75ec76c57d65f8ef74c67f2b0c11a5058","after":"3b99dbdce44e6fa4cc44a023d7ee663165c76ea7","ref":"refs/heads/main","pushedAt":"2024-06-03T14:22:30.000Z","pushType":"push","commitsCount":17,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"first run of papermill freeform notebooks","shortMessageHtmlLink":"first run of papermill freeform notebooks"}},{"before":"e57fc3100d9904a28276a3382086f4524a04ac43","after":"39f822d75ec76c57d65f8ef74c67f2b0c11a5058","ref":"refs/heads/main","pushedAt":"2024-05-27T07:06:40.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"My in progress corrections, still not sure about sdev","shortMessageHtmlLink":"My in progress corrections, still not sure about sdev"}},{"before":"9d5428019f6cc11e6c1c0bb3e858ab3f8d368246","after":"e57fc3100d9904a28276a3382086f4524a04ac43","ref":"refs/heads/main","pushedAt":"2024-05-27T07:00:28.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"working on stasas code","shortMessageHtmlLink":"working on stasas code"}},{"before":"91c4da7df585a8716723ac3e5252657855d770ee","after":"9d5428019f6cc11e6c1c0bb3e858ab3f8d368246","ref":"refs/heads/main","pushedAt":"2024-05-04T17:12:55.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"README.md added to clarify structure","shortMessageHtmlLink":"README.md added to clarify structure"}},{"before":"7b80e7ad49239bdf888fc91af710fd821ccc7982","after":"91c4da7df585a8716723ac3e5252657855d770ee","ref":"refs/heads/main","pushedAt":"2024-05-04T17:11:54.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"README.md added to clarify structure","shortMessageHtmlLink":"README.md added to clarify structure"}},{"before":"61ee2ce99afbd634b35b06e6dfce984db7e7c745","after":"7b80e7ad49239bdf888fc91af710fd821ccc7982","ref":"refs/heads/main","pushedAt":"2024-05-04T17:11:10.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"README.md added to clarify structure","shortMessageHtmlLink":"README.md added to clarify structure"}},{"before":"a6f23a461118820781eb5528dea5f9264f00a4a4","after":"61ee2ce99afbd634b35b06e6dfce984db7e7c745","ref":"refs/heads/main","pushedAt":"2024-04-01T23:16:10.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"spacing issue","shortMessageHtmlLink":"spacing issue"}},{"before":"af177f0e9f9bd40518358eb32d9e9f7e0fa3b097","after":"a6f23a461118820781eb5528dea5f9264f00a4a4","ref":"refs/heads/main","pushedAt":"2024-04-01T23:13:51.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Strain label extraction","shortMessageHtmlLink":"Strain label extraction"}},{"before":"6636d754f15631887707c090924ec4845e87a806","after":"af177f0e9f9bd40518358eb32d9e9f7e0fa3b097","ref":"refs/heads/main","pushedAt":"2024-04-01T21:57:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Beginning the Strain Integration journal what will be seperate from the Deep Docking Set up journal","shortMessageHtmlLink":"Beginning the Strain Integration journal what will be seperate from t…"}},{"before":"3174d85983571b7e25e9284ec9775e1210fb580c","after":"6636d754f15631887707c090924ec4845e87a806","ref":"refs/heads/main","pushedAt":"2024-04-01T18:09:16.000Z","pushType":"push","commitsCount":3,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Up to the start of progressive_docking.py","shortMessageHtmlLink":"Up to the start of progressive_docking.py"}},{"before":"1c9d5cb0cb68e15a3ef29cef15af7bb87ef28743","after":"3174d85983571b7e25e9284ec9775e1210fb580c","ref":"refs/heads/main","pushedAt":"2024-03-30T22:46:33.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Completed phase_1.sh notes, probably need to spell check and tidy formatting","shortMessageHtmlLink":"Completed phase_1.sh notes, probably need to spell check and tidy for…"}},{"before":"143953e6c8217cedab755ae2c635ad93e784710e","after":"1c9d5cb0cb68e15a3ef29cef15af7bb87ef28743","ref":"refs/heads/main","pushedAt":"2024-03-30T19:53:10.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Up to the last part of phase_1, extracting_smiles","shortMessageHtmlLink":"Up to the last part of phase_1, extracting_smiles"}},{"before":"76f14d97ccc5e68a1e8e30d0899b90e8773386d9","after":"143953e6c8217cedab755ae2c635ad93e784710e","ref":"refs/heads/main","pushedAt":"2024-03-29T15:49:33.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Starting code review","shortMessageHtmlLink":"Starting code review"}},{"before":"f40db443dd2d459957df9be3cc967440e77af5f3","after":"76f14d97ccc5e68a1e8e30d0899b90e8773386d9","ref":"refs/heads/main","pushedAt":"2024-03-28T20:43:14.000Z","pushType":"push","commitsCount":17,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"Time to start the Machine Learning portion","shortMessageHtmlLink":"Time to start the Machine Learning portion"}},{"before":"e44d7162340cd02c6184abb9ab9516ce3ec0b003","after":"f40db443dd2d459957df9be3cc967440e77af5f3","ref":"refs/heads/main","pushedAt":"2024-03-26T14:16:24.000Z","pushType":"push","commitsCount":31,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"updated data analysis post deletion of ADRB2_4lde","shortMessageHtmlLink":"updated data analysis post deletion of ADRB2_4lde"}},{"before":"56a27da62cfc937fe5e3b52ccc8f9191cfc2ced3","after":"e44d7162340cd02c6184abb9ab9516ce3ec0b003","ref":"refs/heads/main","pushedAt":"2024-03-23T19:19:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"all jobs running on kar and cos from ant","shortMessageHtmlLink":"all jobs running on kar and cos from ant"}},{"before":"4f89e2e6ecc57d8d356c14ead48cf26cb8bfcc98","after":"56a27da62cfc937fe5e3b52ccc8f9191cfc2ced3","ref":"refs/heads/main","pushedAt":"2024-03-23T01:10:25.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"hopefully functional strain writing and execution","shortMessageHtmlLink":"hopefully functional strain writing and execution"}},{"before":"98969ec45b0cb4eb7c574148ea0507e2a501dc47","after":"4f89e2e6ecc57d8d356c14ead48cf26cb8bfcc98","ref":"refs/heads/main","pushedAt":"2024-03-22T23:35:00.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"added example for running strain in parallel","shortMessageHtmlLink":"added example for running strain in parallel"}},{"before":"0ca0d4ba0c1268fad6b0443fa79ccac2ff04c42e","after":"98969ec45b0cb4eb7c574148ea0507e2a501dc47","ref":"refs/heads/main","pushedAt":"2024-03-22T22:36:47.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"refactored to output PROTEIN-PDBID and not PROTEIN_PDBID","shortMessageHtmlLink":"refactored to output PROTEIN-PDBID and not PROTEIN_PDBID"}},{"before":"d1888d1938d8ab822876d36d1ebb612f92dfb1b4","after":"0ca0d4ba0c1268fad6b0443fa79ccac2ff04c42e","ref":"refs/heads/main","pushedAt":"2024-03-22T18:57:24.000Z","pushType":"push","commitsCount":5,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"init strain_writer.py, currently JUST a copy of glide_sort_writer.py","shortMessageHtmlLink":"init strain_writer.py, currently JUST a copy of glide_sort_writer.py"}},{"before":"a9b30fa39158dd462e454f2c77830dacd2a47f13","after":"d1888d1938d8ab822876d36d1ebb612f92dfb1b4","ref":"refs/heads/main","pushedAt":"2024-03-22T14:29:58.000Z","pushType":"push","commitsCount":4,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"ran to check outputs","shortMessageHtmlLink":"ran to check outputs"}},{"before":"c3b7d1c1799f7cfc10931f5b6eb99a85a6274bc5","after":"a9b30fa39158dd462e454f2c77830dacd2a47f13","ref":"refs/heads/main","pushedAt":"2024-03-22T03:38:16.000Z","pushType":"push","commitsCount":11,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"found the issue, the actual cell that calls the run was not updated to use v2, even though i was inspecting the v2 parameters earlier. it is fixed now","shortMessageHtmlLink":"found the issue, the actual cell that calls the run was not updated t…"}},{"before":"b3d0b900c63372ecb2e38868212b0143682908ee","after":"c3b7d1c1799f7cfc10931f5b6eb99a85a6274bc5","ref":"refs/heads/main","pushedAt":"2024-03-22T00:55:18.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"v2 for integrating updated analysis workflow","shortMessageHtmlLink":"v2 for integrating updated analysis workflow"}},{"before":"6347550bd5bb8f3a05fad33adeda5281716b4e09","after":"b3d0b900c63372ecb2e38868212b0143682908ee","ref":"refs/heads/main","pushedAt":"2024-03-22T00:49:27.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"changes since previous commit only appear to be line spacing and Black formatting","shortMessageHtmlLink":"changes since previous commit only appear to be line spacing and Blac…"}},{"before":"41405b53f187f21966f5e81492d01c4c39e11fec","after":"6347550bd5bb8f3a05fad33adeda5281716b4e09","ref":"refs/heads/main","pushedAt":"2024-03-20T17:24:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"i have now checked both the active and inactive ligprep logs and sdf files and we are good to go for docking. i will again want to sync this in a safe way. i think it is worth updating the rsync script","shortMessageHtmlLink":"i have now checked both the active and inactive ligprep logs and sdf …"}},{"before":"97a311de671c3873e78e7373d5066213c4ef6efe","after":"41405b53f187f21966f5e81492d01c4c39e11fec","ref":"refs/heads/main","pushedAt":"2024-03-20T16:27:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"inactive ligprep reruns are complete and syncd to local, need to check that everything is as i expect, make sure the actives are good as well, and then probably sync back to the servers. as long as i have the correct dir structure locally and backed up, i should be safe to move things as i need to","shortMessageHtmlLink":"inactive ligprep reruns are complete and syncd to local, need to chec…"}},{"before":"2be6044152223bb665b72fc4f9f17070e3140b4d","after":"97a311de671c3873e78e7373d5066213c4ef6efe","ref":"refs/heads/main","pushedAt":"2024-03-20T00:19:21.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"DKchemistry","name":"David Kouvchinov ","path":"/DKchemistry","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/81147591?s=80&v=4"},"commit":{"message":"more ligpreps are getting done, but the pareto ranks are so slow that i need to either fix the algo or i need parallel papermill, not sure which is harder","shortMessageHtmlLink":"more ligpreps are getting done, but the pareto ranks are so slow that…"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"startCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wNi0wNlQxNjoxNDowMS4wMDAwMDBazwAAAAReZWqO","endCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wMy0yMFQwMDoxOToyMS4wMDAwMDBazwAAAAQaKorB"}},"title":"Activity · DKchemistry/chembl"}