{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":666335439,"defaultBranch":"main","name":"molzip","ownerLogin":"daenuprobst","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2023-07-14T09:01:45.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/290186?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1718309075.0","currentOid":""},"activityList":{"items":[{"before":"6000cba0fef7745a91b1a31c24539efe6343b6d5","after":"3f9aa298918e3dade6957f84d896d8d457553344","ref":"refs/heads/main","pushedAt":"2024-02-01T17:29:48.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Fixed bug in predict_with_k","shortMessageHtmlLink":"Fixed bug in predict_with_k"}},{"before":"c201b6506e851d934b8046aa8b10bc853a606358","after":"6000cba0fef7745a91b1a31c24539efe6343b6d5","ref":"refs/heads/main","pushedAt":"2024-02-01T16:24:52.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Merge branch 'main' of github.com:daenuprobst/molzip","shortMessageHtmlLink":"Merge branch 'main' of github.com:daenuprobst/molzip"}},{"before":"ca9b41cb3eae89042f65844e7576a3d23f5e2e2c","after":"c201b6506e851d934b8046aa8b10bc853a606358","ref":"refs/heads/main","pushedAt":"2024-01-31T16:33:07.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"forgot an argument in a function for cv","shortMessageHtmlLink":"forgot an argument in a function for cv"}},{"before":"3dc0b31f293b228e3218715dd93da829a4788534","after":"ca9b41cb3eae89042f65844e7576a3d23f5e2e2c","ref":"refs/heads/main","pushedAt":"2024-01-31T15:36:18.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"added cv for RdKit FP","shortMessageHtmlLink":"added cv for RdKit FP"}},{"before":"a35e74717687e4233e6471ea8e4231c10393ea21","after":"3dc0b31f293b228e3218715dd93da829a4788534","ref":"refs/heads/main","pushedAt":"2024-01-29T08:22:59.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"added cross validation functions","shortMessageHtmlLink":"added cross validation functions"}},{"before":"152f19b85a0efcba6c83e1cdee0193b28c9d4d6c","after":"a35e74717687e4233e6471ea8e4231c10393ea21","ref":"refs/heads/main","pushedAt":"2024-01-23T12:24:46.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"added ECFP regressor for comparison","shortMessageHtmlLink":"added ECFP regressor for comparison"}},{"before":"27936e2450646f420bd834a943f380e0ccbf2fa5","after":"152f19b85a0efcba6c83e1cdee0193b28c9d4d6c","ref":"refs/heads/main","pushedAt":"2024-01-23T10:10:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"changed distance to be a proper metric (no effect on results)","shortMessageHtmlLink":"changed distance to be a proper metric (no effect on results)"}},{"before":"92d00d49cc157a4d5b3e528669e12f8db5a984cf","after":"27936e2450646f420bd834a943f380e0ccbf2fa5","ref":"refs/heads/main","pushedAt":"2023-11-01T19:53:41.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Pre-update","shortMessageHtmlLink":"Pre-update"}},{"before":"71ff37fcbdbfdf31dd7060ee6b23c00e74858db5","after":"92d00d49cc157a4d5b3e528669e12f8db5a984cf","ref":"refs/heads/main","pushedAt":"2023-09-29T11:12:48.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Updated documentation","shortMessageHtmlLink":"Updated documentation"}},{"before":"1d5cc29ccfcfb338a86240570bcd57472e63ab5e","after":"71ff37fcbdbfdf31dd7060ee6b23c00e74858db5","ref":"refs/heads/main","pushedAt":"2023-09-27T14:24:12.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Added config function for less clutter","shortMessageHtmlLink":"Added config function for less clutter"}},{"before":"b8d95449b68c60a87262d2ca50e7da88cfac0043","after":"1d5cc29ccfcfb338a86240570bcd57472e63ab5e","ref":"refs/heads/main","pushedAt":"2023-09-27T08:05:28.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Refactoring and pdbbind benchmark","shortMessageHtmlLink":"Refactoring and pdbbind benchmark"}},{"before":"ff3c9b3af10ec81a957db0de25659e6008589176","after":"b8d95449b68c60a87262d2ca50e7da88cfac0043","ref":"refs/heads/main","pushedAt":"2023-09-26T15:35:15.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Refactoring and pdbbind benchmark","shortMessageHtmlLink":"Refactoring and pdbbind benchmark"}},{"before":"1f54df617ba05e5c2115637c4d7f49a5aa990f91","after":"ff3c9b3af10ec81a957db0de25659e6008589176","ref":"refs/heads/main","pushedAt":"2023-09-25T21:23:45.000Z","pushType":"push","commitsCount":3,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Started with some refactoring","shortMessageHtmlLink":"Started with some refactoring"}},{"before":"179b3b0c02e7daf061f14effc609f1575ebe2efd","after":"1f54df617ba05e5c2115637c4d7f49a5aa990f91","ref":"refs/heads/main","pushedAt":"2023-09-22T07:55:46.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"update results (FINAL)","shortMessageHtmlLink":"update results (FINAL)"}},{"before":"733db107bd869166cc4e40d5f03f3995fef07455","after":"179b3b0c02e7daf061f14effc609f1575ebe2efd","ref":"refs/heads/main","pushedAt":"2023-09-21T15:08:45.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"updated main script, added config file, smiles+vec","shortMessageHtmlLink":"updated main script, added config file, smiles+vec"}},{"before":"b8d4c01ddc4c22093161c63b6a5e5b7c3ef797be","after":"733db107bd869166cc4e40d5f03f3995fef07455","ref":"refs/heads/main","pushedAt":"2023-09-19T15:44:06.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"results with random seed 666","shortMessageHtmlLink":"results with random seed 666"}},{"before":"d5c7fae786d3961d06f006936c4af4b10d823535","after":"b8d4c01ddc4c22093161c63b6a5e5b7c3ef797be","ref":"refs/heads/main","pushedAt":"2023-09-12T12:15:01.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"more vector to string maps and updated freesolv","shortMessageHtmlLink":"more vector to string maps and updated freesolv"}},{"before":"b7b11ad9a4a9b621a6715a339a566e55708a1b06","after":"d5c7fae786d3961d06f006936c4af4b10d823535","ref":"refs/heads/main","pushedAt":"2023-09-05T08:58:12.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"clean up scripts","shortMessageHtmlLink":"clean up scripts"}},{"before":"cd52d4178b28d80522f731536228709755f7158d","after":"b7b11ad9a4a9b621a6715a339a566e55708a1b06","ref":"refs/heads/main","pushedAt":"2023-09-03T14:13:38.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"update figure","shortMessageHtmlLink":"update figure"}},{"before":"495b44030915e16267a7aac2a556bc30c34a3517","after":"cd52d4178b28d80522f731536228709755f7158d","ref":"refs/heads/main","pushedAt":"2023-09-03T14:06:15.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"quantitative comparison gzip vs MA number","shortMessageHtmlLink":"quantitative comparison gzip vs MA number"}},{"before":"45e7206420d83b46812fea48d96015d629deb484","after":"495b44030915e16267a7aac2a556bc30c34a3517","ref":"refs/heads/main","pushedAt":"2023-08-18T15:23:40.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"updates plots","shortMessageHtmlLink":"updates plots"}},{"before":"64dc71f0c2bbb88ff7227646df84e700bd7899a5","after":"45e7206420d83b46812fea48d96015d629deb484","ref":"refs/heads/main","pushedAt":"2023-08-14T16:31:36.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"plots for learning curves","shortMessageHtmlLink":"plots for learning curves"}},{"before":"3b73af4891194da2d2b592a299e5de83468e94bb","after":"64dc71f0c2bbb88ff7227646df84e700bd7899a5","ref":"refs/heads/main","pushedAt":"2023-08-12T12:55:55.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"added mixed smiles/binned string rep of num vector","shortMessageHtmlLink":"added mixed smiles/binned string rep of num vector"}},{"before":"1b3fc64ea4f09a41360633b8b418ee5e27143695","after":"3b73af4891194da2d2b592a299e5de83468e94bb","ref":"refs/heads/main","pushedAt":"2023-08-12T12:04:22.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"fixed messed up directory, sry!","shortMessageHtmlLink":"fixed messed up directory, sry!"}},{"before":"bdee27751b8322d74b0848147cfd078eb5b0e1fb","after":"1b3fc64ea4f09a41360633b8b418ee5e27143695","ref":"refs/heads/main","pushedAt":"2023-08-12T11:55:46.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"k consistent with paper","shortMessageHtmlLink":"k consistent with paper"}},{"before":"c4f3edc5839885f6da8f1f40007ce9c9b3c5942c","after":"bdee27751b8322d74b0848147cfd078eb5b0e1fb","ref":"refs/heads/main","pushedAt":"2023-08-12T11:53:39.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"fixed conversion to floats for regression","shortMessageHtmlLink":"fixed conversion to floats for regression"}},{"before":"8bc3b24c6319edf58cfb971a116834d9186b9da5","after":"c4f3edc5839885f6da8f1f40007ce9c9b3c5942c","ref":"refs/heads/main","pushedAt":"2023-08-07T12:58:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"pca example","shortMessageHtmlLink":"pca example"}},{"before":"e8037b12c03ef91d1db9d099ef1c545ef2dee119","after":"8bc3b24c6319edf58cfb971a116834d9186b9da5","ref":"refs/heads/main","pushedAt":"2023-08-07T12:35:56.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"Merge pull request #19 from janweinreich/main\n\nadded gzip PCA","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1833224669\" data-permission-text=\"Title is private\" data-url=\"https://github.com/daenuprobst/molzip/issues/19\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/daenuprobst/molzip/pull/19/hovercard\" href=\"https://github.com/daenuprobst/molzip/pull/19\">#19</a> from janweinreich/main"}},{"before":"0b4134fcfea7b0fe34f38a801667c65543309c37","after":"e8037b12c03ef91d1db9d099ef1c545ef2dee119","ref":"refs/heads/main","pushedAt":"2023-08-02T13:26:15.000Z","pushType":"pr_merge","commitsCount":4,"pusher":{"login":"janweinreich","name":"Jan Weinreich","path":"/janweinreich","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/12882694?s=80&v=4"},"commit":{"message":"Merge pull request #9 from janweinreich/main\n\nadded hyperparameter opt for KRR","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1807668953\" data-permission-text=\"Title is private\" data-url=\"https://github.com/daenuprobst/molzip/issues/9\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/daenuprobst/molzip/pull/9/hovercard\" href=\"https://github.com/daenuprobst/molzip/pull/9\">#9</a> from janweinreich/main"}},{"before":"a51cc884b5f555c1dcd9ed8f16d0e0758171fc20","after":"0b4134fcfea7b0fe34f38a801667c65543309c37","ref":"refs/heads/main","pushedAt":"2023-07-27T16:23:02.000Z","pushType":"pr_merge","commitsCount":4,"pusher":{"login":"daenuprobst","name":"Daniel Probst","path":"/daenuprobst","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/290186?s=80&v=4"},"commit":{"message":"Merge pull request #17 from RishikeshMagar/main\n\nAdded a new QMOF dataset","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1817254115\" data-permission-text=\"Title is private\" data-url=\"https://github.com/daenuprobst/molzip/issues/17\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/daenuprobst/molzip/pull/17/hovercard\" href=\"https://github.com/daenuprobst/molzip/pull/17\">#17</a> from RishikeshMagar/main"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAD72dpuwA","startCursor":null,"endCursor":null}},"title":"Activity · daenuprobst/molzip"}