{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":671117728,"defaultBranch":"main","name":"modelforge","ownerLogin":"choderalab","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2023-07-26T15:20:01.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/4217481?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1727269344.0","currentOid":""},"activityList":{"items":[{"before":"c9b7188bc9e8dfc66102c07969973e39f122f7b6","after":"c0e68fa7db7a572bc02213e861f091e78f2c0e38","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-26T14:00:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"allow to toggle off logging to console during training","shortMessageHtmlLink":"allow to toggle off logging to console during training"}},{"before":"40d34bf138b6a676c9896fae2d7c798060bef856","after":"c9b7188bc9e8dfc66102c07969973e39f122f7b6","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-26T13:50:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"bugfix","shortMessageHtmlLink":"bugfix"}},{"before":"153964bbb62cae342dcc7b4b8f2f65c9e858d25b","after":"40d34bf138b6a676c9896fae2d7c798060bef856","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T20:55:07.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"bugfix: passed wrong reference to torchmetric validation error","shortMessageHtmlLink":"bugfix: passed wrong reference to torchmetric validation error"}},{"before":"6d876856a27d2abdd1ab5c5727343ddf49e13798","after":"153964bbb62cae342dcc7b4b8f2f65c9e858d25b","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T19:41:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"lov metric on validation set after epoch","shortMessageHtmlLink":"lov metric on validation set after epoch"}},{"before":"037b86caaf3711747fd8e5be880c0e637ad1813b","after":"6d876856a27d2abdd1ab5c5727343ddf49e13798","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T19:22:51.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"remove redundant metric and loss initialization","shortMessageHtmlLink":"remove redundant metric and loss initialization"}},{"before":"8468412f818f130cdee89c481f2b8317faa6d85d","after":"037b86caaf3711747fd8e5be880c0e637ad1813b","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T15:28:58.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"add useful logging messages to check for initialized  contributions to the loss","shortMessageHtmlLink":"add useful logging messages to check for initialized contributions to…"}},{"before":"70367b85a2c58139728745f6247025a57af2e07b","after":"8468412f818f130cdee89c481f2b8317faa6d85d","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T13:35:51.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"don't log training metric (except the loss)","shortMessageHtmlLink":"don't log training metric (except the loss)"}},{"before":"98d9293a18a50854a38e686e4c7de3caee73900b","after":"70367b85a2c58139728745f6247025a57af2e07b","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T13:02:33.000Z","pushType":"push","commitsCount":7,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"Merge branch 'main' into train-on-dipol-moment","shortMessageHtmlLink":"Merge branch 'main' into train-on-dipol-moment"}},{"before":"11ae3b690b40ba55450ae44ef7b3b9ec89472719","after":null,"ref":"refs/heads/ref-structure","pushedAt":"2024-09-25T13:02:24.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"}},{"before":"f7a67a7969948ecda5a69d483d8a2b4d89ee8d91","after":"5b8c3ca70c2bedec6c193b1d4d0eb8b2d1824363","ref":"refs/heads/main","pushedAt":"2024-09-25T13:02:21.000Z","pushType":"pr_merge","commitsCount":6,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"Merge pull request #256 from choderalab/ref-structure\n\nRef structure","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2547458977\" data-permission-text=\"Title is private\" data-url=\"https://github.com/choderalab/modelforge/issues/256\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/choderalab/modelforge/pull/256/hovercard\" href=\"https://github.com/choderalab/modelforge/pull/256\">#256</a> from choderalab/ref-structure"}},{"before":"6801a5f087e90106995240aa8c26d289e477494a","after":"11ae3b690b40ba55450ae44ef7b3b9ec89472719","ref":"refs/heads/ref-structure","pushedAt":"2024-09-25T12:55:17.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"fix another import","shortMessageHtmlLink":"fix another import"}},{"before":"a556661e5ab8eeaf9d40cb87c728991ded9da3ec","after":"6801a5f087e90106995240aa8c26d289e477494a","ref":"refs/heads/ref-structure","pushedAt":"2024-09-25T12:44:12.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"fix imports","shortMessageHtmlLink":"fix imports"}},{"before":"8d0f7f6cebe823906f4c04c7cb3bf674c2c221c5","after":"a556661e5ab8eeaf9d40cb87c728991ded9da3ec","ref":"refs/heads/ref-structure","pushedAt":"2024-09-25T09:30:41.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"linting changes","shortMessageHtmlLink":"linting changes"}},{"before":"20c25a88656f50a3854828935b4a57161041ef57","after":"8d0f7f6cebe823906f4c04c7cb3bf674c2c221c5","ref":"refs/heads/ref-structure","pushedAt":"2024-09-25T09:24:36.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"add notebook to regenerate figure: https://github.com/choderalab/modelforge/wiki/Representation#different-implementations-of-radial-symmetry-functions-in-modelforge","shortMessageHtmlLink":"add notebook to regenerate figure: <a href=\"https://github.com/choderalab/modelforge/wiki/Representation#different-implementations-of-radial-symmetry-functions-in-modelforge\">https://github.com/choderalab/mode…</a>"}},{"before":null,"after":"20c25a88656f50a3854828935b4a57161041ef57","ref":"refs/heads/ref-structure","pushedAt":"2024-09-25T08:31:56.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"split representation and featurization from `potential` and `utils` in stand alone submodules","shortMessageHtmlLink":"split representation and featurization from <code>potential</code> and <code>utils</code> i…"}},{"before":"1b73f9f94715c1027f41cda64e36ea20e83aaa0c","after":"98d9293a18a50854a38e686e4c7de3caee73900b","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-25T07:15:57.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"make it explicit that per-atom and per-molecule energy loss are different","shortMessageHtmlLink":"make it explicit that per-atom and per-molecule energy loss are diffe…"}},{"before":"176bd6ebd281f4316fb75eef7dc3d9ec5df7b1cd","after":"1b73f9f94715c1027f41cda64e36ea20e83aaa0c","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T20:52:22.000Z","pushType":"push","commitsCount":6,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"Merge branch 'main' into train-on-dipol-moment","shortMessageHtmlLink":"Merge branch 'main' into train-on-dipol-moment"}},{"before":"d0b418d5d008ec4c3613e85c44762546bfad9b25","after":null,"ref":"refs/heads/bugfix-lock-file","pushedAt":"2024-09-24T20:46:21.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"}},{"before":"aa0cdb709e4c7009f5d604dab6bd62bf6fee178d","after":"f7a67a7969948ecda5a69d483d8a2b4d89ee8d91","ref":"refs/heads/main","pushedAt":"2024-09-24T20:46:19.000Z","pushType":"pr_merge","commitsCount":5,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"Merge pull request #255 from choderalab/bugfix-lock-file\n\nBugfix lock file","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2544616733\" data-permission-text=\"Title is private\" data-url=\"https://github.com/choderalab/modelforge/issues/255\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/choderalab/modelforge/pull/255/hovercard\" href=\"https://github.com/choderalab/modelforge/pull/255\">#255</a> from choderalab/bugfix-lock-file"}},{"before":"d5881411127e8abba41f97ae01dbee69bee57d25","after":"d0b418d5d008ec4c3613e85c44762546bfad9b25","ref":"refs/heads/bugfix-lock-file","pushedAt":"2024-09-24T20:04:35.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"chrisiacovella","name":"Chris Iacovella","path":"/chrisiacovella","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1423531?s=80&v=4"},"commit":{"message":"minor reworking of lock_with_attribute decorator to use the OpenWithLock context manager (does the same thing, just less code).","shortMessageHtmlLink":"minor reworking of lock_with_attribute decorator to use the OpenWithL…"}},{"before":"72d5e0874694d9181a00c299cc4a7ce13345f7af","after":"176bd6ebd281f4316fb75eef7dc3d9ec5df7b1cd","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T18:34:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"update toml files","shortMessageHtmlLink":"update toml files"}},{"before":"c78356fd24d24d19bda6186d57ce69c5d43ec7c7","after":"72d5e0874694d9181a00c299cc4a7ce13345f7af","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T16:31:56.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"forgot to add training toml with expended loss_property","shortMessageHtmlLink":"forgot to add training toml with expended loss_property"}},{"before":"a2a8530f9bf3381460cbd59a0da53d1f112a358a","after":"c78356fd24d24d19bda6186d57ce69c5d43ec7c7","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T16:31:25.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"add dipole and integer charge loss, add test (still failing). side note: will need to split off error/loss in new module","shortMessageHtmlLink":"add dipole and integer charge loss, add test (still failing). side no…"}},{"before":"3c3b0955ade5ca26eb02376ce763322fdc4f2c90","after":"a2a8530f9bf3381460cbd59a0da53d1f112a358a","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T16:11:00.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"add infrastructure and tests for loss targeting:\n- deviation of integer charge\n- deviation of dipole moment","shortMessageHtmlLink":"add infrastructure and tests for loss targeting:"}},{"before":"832bcae40a4331cd44f701c0878eb8b76d074b7c","after":"3c3b0955ade5ca26eb02376ce763322fdc4f2c90","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T14:02:22.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"small refactoring of dataset structure","shortMessageHtmlLink":"small refactoring of dataset structure"}},{"before":"67d37fafecec8416ca7d785eed6a1b23a5b70b99","after":"832bcae40a4331cd44f701c0878eb8b76d074b7c","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T11:35:14.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"some refactoring changes to the training routine, dummy total_charge routine for testing dipole loss","shortMessageHtmlLink":"some refactoring changes to the training routine, dummy total_charge …"}},{"before":"68489a3a05a918940e905b1419516e9d586ee41c","after":"d5881411127e8abba41f97ae01dbee69bee57d25","ref":"refs/heads/bugfix-lock-file","pushedAt":"2024-09-24T09:13:00.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"skip test on macos","shortMessageHtmlLink":"skip test on macos"}},{"before":"4145bfa3e3d8ad44c8f099c133bf2e1b9bdd6d52","after":"67d37fafecec8416ca7d785eed6a1b23a5b70b99","ref":"refs/heads/train-on-dipol-moment","pushedAt":"2024-09-24T07:51:43.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"update charge conservation test/code","shortMessageHtmlLink":"update charge conservation test/code"}},{"before":"9862865a0dc142e1e82ebfe26b8b8bd46b06ed42","after":"68489a3a05a918940e905b1419516e9d586ee41c","ref":"refs/heads/bugfix-lock-file","pushedAt":"2024-09-24T07:42:09.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"that should fix the problem","shortMessageHtmlLink":"that should fix the problem"}},{"before":null,"after":"9862865a0dc142e1e82ebfe26b8b8bd46b06ed42","ref":"refs/heads/bugfix-lock-file","pushedAt":"2024-09-24T07:32:18.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"wiederm","name":"Marcus Wieder","path":"/wiederm","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/31651017?s=80&v=4"},"commit":{"message":"trying to fix the lockfile mechanism for prepare_data","shortMessageHtmlLink":"trying to fix the lockfile mechanism for prepare_data"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"startCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wOS0yNlQxNDowMDoyOS4wMDAwMDBazwAAAATBkWsj","endCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wOS0yNFQwNzozMjoxOC4wMDAwMDBazwAAAAS-0SHl"}},"title":"Activity · choderalab/modelforge"}