{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":756068960,"defaultBranch":"main","name":"GPS-TS","ownerLogin":"CoReACTER","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2024-02-11T21:59:50.000Z","ownerAvatar":"https://github.com/avatars/u/159731300?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1707688791.363057","currentOid":""},"activityList":{"items":[{"before":"51981f44687d5624cd6770290b4cea750745a9f5","after":"0b0146290f7ddd3759e51a49abea83f5e2937c43","ref":"refs/heads/main","pushedAt":"2024-03-28T22:52:12.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Small refactor","shortMessageHtmlLink":"Small refactor"}},{"before":"e5c57171853d1177acc16552e483cfd4880d7295","after":"51981f44687d5624cd6770290b4cea750745a9f5","ref":"refs/heads/main","pushedAt":"2024-03-27T16:56:12.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Merge pull request #2 from levineds-meta/patch-1\n\nFix shadowed function name","shortMessageHtmlLink":"Merge pull request #2 from levineds-meta/patch-1"}},{"before":"69492e08a7631317b74c5daaf62b0d133a8042e6","after":"e5c57171853d1177acc16552e483cfd4880d7295","ref":"refs/heads/main","pushedAt":"2024-03-08T17:33:03.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Start of actual README. Next big step is CI and code coverage checking","shortMessageHtmlLink":"Start of actual README. Next big step is CI and code coverage checking"}},{"before":"0974f99d3d64621b0bd74ac0fbe9c6c2cc11b463","after":"69492e08a7631317b74c5daaf62b0d133a8042e6","ref":"refs/heads/main","pushedAt":"2024-03-08T16:47:58.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"New tests for utils; all pass","shortMessageHtmlLink":"New tests for utils; all pass"}},{"before":"5d273b68a9a75b34a44456b31d48bd7272fd2fdc","after":"0974f99d3d64621b0bd74ac0fbe9c6c2cc11b463","ref":"refs/heads/main","pushedAt":"2024-03-07T23:26:43.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Finish documentation; still some tests that need to be written","shortMessageHtmlLink":"Finish documentation; still some tests that need to be written"}},{"before":"378a3cdf11d1c0f9f669d8d6803fafc92705d6d4","after":"5d273b68a9a75b34a44456b31d48bd7272fd2fdc","ref":"refs/heads/main","pushedAt":"2024-03-07T22:20:39.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Mostly update documentation","shortMessageHtmlLink":"Mostly update documentation"}},{"before":"0387034526cfce2074b523c66cef4c23ed59cd95","after":"378a3cdf11d1c0f9f669d8d6803fafc92705d6d4","ref":"refs/heads/main","pushedAt":"2024-03-01T17:18:32.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Important bugfix related to charges and spins","shortMessageHtmlLink":"Important bugfix related to charges and spins"}},{"before":"9907f2d06e3a4c13ab8964e67c94b14a5edbb7a9","after":"0387034526cfce2074b523c66cef4c23ed59cd95","ref":"refs/heads/main","pushedAt":"2024-02-28T18:59:52.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Another problem has arisen","shortMessageHtmlLink":"Another problem has arisen"}},{"before":"ad1a94c5cce2a5813209a9c0af7c976785391167","after":"9907f2d06e3a4c13ab8964e67c94b14a5edbb7a9","ref":"refs/heads/main","pushedAt":"2024-02-28T16:07:22.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Oops; classic \"forgot a continue\"","shortMessageHtmlLink":"Oops; classic \"forgot a continue\""}},{"before":"32d6c0d1a25c684a69ce84d2d269cf11cfea736f","after":"ad1a94c5cce2a5813209a9c0af7c976785391167","ref":"refs/heads/main","pushedAt":"2024-02-28T15:53:01.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Dealing with one problematic reaction that seems to cause Architector\nand/or xTB to crash?","shortMessageHtmlLink":"Dealing with one problematic reaction that seems to cause Architector"}},{"before":"69b0ee39f766ff82090bb96b10a3f716ff40ca60","after":"32d6c0d1a25c684a69ce84d2d269cf11cfea736f","ref":"refs/heads/main","pushedAt":"2024-02-28T03:50:56.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Adding an error check back in","shortMessageHtmlLink":"Adding an error check back in"}},{"before":"ec46d225bcb089d9c95be7e05b07cec17074a200","after":"69b0ee39f766ff82090bb96b10a3f716ff40ca60","ref":"refs/heads/main","pushedAt":"2024-02-27T18:58:06.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"More tweaks to the benchmarks. Main change is to BH2O-36; realized that\nreactions with spectators are (for now) problematic","shortMessageHtmlLink":"More tweaks to the benchmarks. Main change is to BH2O-36; realized that"}},{"before":"517c71258dcc9717b8ea7359b1429ef83eacf4fd","after":"ec46d225bcb089d9c95be7e05b07cec17074a200","ref":"refs/heads/main","pushedAt":"2024-02-27T01:37:21.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Ready to launch initial iteration of the benchmark","shortMessageHtmlLink":"Ready to launch initial iteration of the benchmark"}},{"before":"6ef5902c11c4fe9d37c9f43a6e14df0a7120e6bc","after":"517c71258dcc9717b8ea7359b1429ef83eacf4fd","ref":"refs/heads/main","pushedAt":"2024-02-27T00:42:09.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Benchmarks are ready; need to think about how to test (BH9, Sella,\nMOBH35, and ROST61 are all expensive to prepare)","shortMessageHtmlLink":"Benchmarks are ready; need to think about how to test (BH9, Sella,"}},{"before":"3e7fce285ca91b5b483c048edeeec5745451e4ab","after":"6ef5902c11c4fe9d37c9f43a6e14df0a7120e6bc","ref":"refs/heads/main","pushedAt":"2024-02-25T21:42:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Many small changes related to the benchmark data","shortMessageHtmlLink":"Many small changes related to the benchmark data"}},{"before":"686220bb406818cc442b5514e87f1d9cb28ad9cb","after":"3e7fce285ca91b5b483c048edeeec5745451e4ab","ref":"refs/heads/main","pushedAt":"2024-02-25T15:47:07.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Tweaks to benchmark scripts","shortMessageHtmlLink":"Tweaks to benchmark scripts"}},{"before":"52bf3a31bd6b50c843f9a5e954aa4ba42f18f90f","after":"686220bb406818cc442b5514e87f1d9cb28ad9cb","ref":"refs/heads/main","pushedAt":"2024-02-23T01:07:04.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Another bugfix; there will probably be a lot of these","shortMessageHtmlLink":"Another bugfix; there will probably be a lot of these"}},{"before":"90061aa3b24b0feaf5b1bedea331aa8bda4d65b5","after":"52bf3a31bd6b50c843f9a5e954aa4ba42f18f90f","ref":"refs/heads/main","pushedAt":"2024-02-23T01:00:14.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Fixes for BH2O-36 benchmark code","shortMessageHtmlLink":"Fixes for BH2O-36 benchmark code"}},{"before":"0a1eee9dd62d04a30721df1376f5b20ad79cbed4","after":"90061aa3b24b0feaf5b1bedea331aa8bda4d65b5","ref":"refs/heads/main","pushedAt":"2024-02-23T00:52:51.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"And another","shortMessageHtmlLink":"And another"}},{"before":"2ec72e371c79a025ee7e566befacf7e8a841514b","after":"0a1eee9dd62d04a30721df1376f5b20ad79cbed4","ref":"refs/heads/main","pushedAt":"2024-02-23T00:51:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Typo","shortMessageHtmlLink":"Typo"}},{"before":"37489fadb7d36967fb755aa780aba4cfd64ae7a3","after":"2ec72e371c79a025ee7e566befacf7e8a841514b","ref":"refs/heads/main","pushedAt":"2024-02-23T00:44:08.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"import issues","shortMessageHtmlLink":"import issues"}},{"before":"51cc26da4edb5e6210d27562d960d9e2958fe7e7","after":"37489fadb7d36967fb755aa780aba4cfd64ae7a3","ref":"refs/heads/main","pushedAt":"2024-02-23T00:20:35.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Revert","shortMessageHtmlLink":"Revert"}},{"before":"957f565e479b5a08822fcc0d883304864119d312","after":"51cc26da4edb5e6210d27562d960d9e2958fe7e7","ref":"refs/heads/main","pushedAt":"2024-02-23T00:17:06.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Small update to ASE version","shortMessageHtmlLink":"Small update to ASE version"}},{"before":"e7aeac8db7da5e5eb154dd5ecae933c14bf475c8","after":"957f565e479b5a08822fcc0d883304864119d312","ref":"refs/heads/main","pushedAt":"2024-02-22T23:00:10.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Done with (preliminary) TS benchmark setup - whew!","shortMessageHtmlLink":"Done with (preliminary) TS benchmark setup - whew!"}},{"before":"f0b4a92e2d7116baef694f42b81c7b18a8cd74ff","after":"e7aeac8db7da5e5eb154dd5ecae933c14bf475c8","ref":"refs/heads/main","pushedAt":"2024-02-22T18:39:48.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Now ready to test all of the benchmark datasets, other than that based\non the electrolyte reactions (which still need to be collected)","shortMessageHtmlLink":"Now ready to test all of the benchmark datasets, other than that based"}},{"before":"f006a84a61aa18bbb67a036a30f47b11225dc307","after":"f0b4a92e2d7116baef694f42b81c7b18a8cd74ff","ref":"refs/heads/main","pushedAt":"2024-02-21T22:24:57.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Making progress on benchmark datasets","shortMessageHtmlLink":"Making progress on benchmark datasets"}},{"before":"723b4e91f8a0bef55b89327a49a255db47535feb","after":"f006a84a61aa18bbb67a036a30f47b11225dc307","ref":"refs/heads/main","pushedAt":"2024-02-21T20:10:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"prepare_reaction_for_input now passes tests; there's one unfortunate\nexample, but for now, everything is working as well as we could hope","shortMessageHtmlLink":"prepare_reaction_for_input now passes tests; there's one unfortunate"}},{"before":"4df730fdd488a8912ba1d750c13169affd1315e6","after":"723b4e91f8a0bef55b89327a49a255db47535feb","ref":"refs/heads/main","pushedAt":"2024-02-20T20:17:47.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Draft of processing utility for BH9; (untested) function for preparing\ninputs for complex generation from initial molecule graphs","shortMessageHtmlLink":"Draft of processing utility for BH9; (untested) function for preparing"}},{"before":"04628b13076e6952a459850eedcb3bdafdd5c03a","after":"4df730fdd488a8912ba1d750c13169affd1315e6","ref":"refs/heads/main","pushedAt":"2024-02-14T23:36:17.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"We have atom mapping now, thanks to mixed-integer linear programming and\nMingjian Wen (University of Houston)","shortMessageHtmlLink":"We have atom mapping now, thanks to mixed-integer linear programming and"}},{"before":"1e61f10dea88f226e46313972c12cdc5510ddb78","after":"04628b13076e6952a459850eedcb3bdafdd5c03a","ref":"refs/heads/main","pushedAt":"2024-02-14T18:48:08.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"espottesmith","name":"Evan Walter Clark Spotte-Smith, PhD","path":"/espottesmith","primaryAvatarUrl":"https://github.com/avatars/u/17201238?s=80&v=4"},"commit":{"message":"Very preliminary skeleton for optimization benchmark; stripped some\natom-mapping code from Mr.Net (will need to edit to rmeove need for\nMoleculeEntry class, maybe incorporate stereochemical information?)","shortMessageHtmlLink":"Very preliminary skeleton for optimization benchmark; stripped some"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"startCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wMy0yOFQyMjo1MjoxMi4wMDAwMDBazwAAAAQiOnii","endCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wMi0xNFQxODo0ODowOC4wMDAwMDBazwAAAAP63e8B"}},"title":"Activity ยท CoReACTER/GPS-TS"}