{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":383967575,"defaultBranch":"main","name":"FASMIFRA","ownerLogin":"UnixJunkie","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2021-07-08T01:28:43.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/737920?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1722926239.0","currentOid":""},"activityList":{"items":[{"before":"d0cff1bab6c773c2f94d59ee2ea9b2699b6a26a5","after":"362d4079643915c9be87bbe9f630fdc14dad3118","ref":"refs/heads/main","pushedAt":"2024-08-06T06:32:03.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/fasmifra_fragment.py: more precise atom typing scheme\n\nadded: num_Hs and ring_membership code to the atom atributes","shortMessageHtmlLink":"bin/fasmifra_fragment.py: more precise atom typing scheme"}},{"before":"9398769ed674404fde3be5bfdb775aa5ba81990d","after":"d0cff1bab6c773c2f94d59ee2ea9b2699b6a26a5","ref":"refs/heads/main","pushedAt":"2024-08-06T05:32:07.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/fasmifra_fragment.py: comment plus cut long lines","shortMessageHtmlLink":"bin/fasmifra_fragment.py: comment plus cut long lines"}},{"before":"7efbe6a8ec28ed8488b3763daf2721e88f5f1d79","after":"9398769ed674404fde3be5bfdb775aa5ba81990d","ref":"refs/heads/main","pushedAt":"2024-08-06T02:45:55.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"opam: install new fasmifra_rm_cut_bonds.sh script","shortMessageHtmlLink":"opam: install new fasmifra_rm_cut_bonds.sh script"}},{"before":"b98007723d7db44ffb92809f1ff27cfce56171d2","after":"7efbe6a8ec28ed8488b3763daf2721e88f5f1d79","ref":"refs/heads/main","pushedAt":"2024-08-06T02:43:19.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: better usage message","shortMessageHtmlLink":"Fasmifra: better usage message"}},{"before":"4d3f3259b87df2d0b42fc07766ef80cbf1a6354c","after":"b98007723d7db44ffb92809f1ff27cfce56171d2","ref":"refs/heads/main","pushedAt":"2024-08-06T02:31:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/rm_cut_bonds.sh: we need extended regular expressions","shortMessageHtmlLink":"bin/rm_cut_bonds.sh: we need extended regular expressions"}},{"before":"272c5f4877cec5725b4fd8cb01663525f302e1e2","after":"4d3f3259b87df2d0b42fc07766ef80cbf1a6354c","ref":"refs/heads/main","pushedAt":"2024-08-06T02:25:30.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"new file:   bin/rm_cut_bonds.sh","shortMessageHtmlLink":"new file: bin/rm_cut_bonds.sh"}},{"before":"777f0a88b63ae54fbf82ed3cda31b5973c37d730","after":"272c5f4877cec5725b4fd8cb01663525f302e1e2","ref":"refs/heads/main","pushedAt":"2024-08-06T02:18:42.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: comment","shortMessageHtmlLink":"Fasmifra: comment"}},{"before":"0d99ab822c269442dcf5638ce33713d3b4633f46","after":"777f0a88b63ae54fbf82ed3cda31b5973c37d730","ref":"refs/heads/main","pushedAt":"2024-08-06T02:04:49.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: less code","shortMessageHtmlLink":"Fasmifra: less code"}},{"before":"531cfc9648e465530441ffe14e239f6a3f368d31","after":"0d99ab822c269442dcf5638ce33713d3b4633f46","ref":"refs/heads/main","pushedAt":"2024-08-06T02:00:08.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: added -pcb CLI option","shortMessageHtmlLink":"Fasmifra: added -pcb CLI option"}},{"before":"fc84afdb436ee41c8cc58b9e4be09c28bcc77116","after":"531cfc9648e465530441ffe14e239f6a3f368d31","ref":"refs/heads/main","pushedAt":"2024-08-05T09:57:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: implemented -opcb CLI option","shortMessageHtmlLink":"Fasmifra: implemented -opcb CLI option"}},{"before":"2d6e5753334a5da84559d367ea0ea7eb3c114392","after":"fc84afdb436ee41c8cc58b9e4be09c28bcc77116","ref":"refs/heads/main","pushedAt":"2024-08-05T09:14:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: factorize code depending on rng_style","shortMessageHtmlLink":"Fasmifra: factorize code depending on rng_style"}},{"before":"054a2d4626c362ae0268ccd7235462a9d17eace9","after":"2d6e5753334a5da84559d367ea0ea7eb3c114392","ref":"refs/heads/main","pushedAt":"2024-08-05T08:40:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra.assemble_smiles_fragments_PCB\n\nvariant of assemble_smiles_fragments to preserve cut bonds in\ngenerated molecules","shortMessageHtmlLink":"Fasmifra.assemble_smiles_fragments_PCB"}},{"before":"286e00c4dcf49f9e10d835a6b97a7584532c8d01","after":"054a2d4626c362ae0268ccd7235462a9d17eace9","ref":"refs/heads/main","pushedAt":"2024-08-05T04:11:04.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/fasmifra_frag_dict.py: user feedback at the end, on stderr","shortMessageHtmlLink":"bin/fasmifra_frag_dict.py: user feedback at the end, on stderr"}},{"before":"9cd93261768e0baa48c505ef57890fbf584481c6","after":"286e00c4dcf49f9e10d835a6b97a7584532c8d01","ref":"refs/heads/main","pushedAt":"2024-08-05T03:49:02.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"rm dead code\n\nrm bin/fasmifra_fragment_wild.py\nrm bin/fragment_SA.py\nrm bin/fragment_SA_dict.py\nrm bin/to_sparse.py","shortMessageHtmlLink":"rm dead code"}},{"before":"7b5c14005d5d19a1b096bafb8215f67f318c5592","after":"9cd93261768e0baa48c505ef57890fbf584481c6","ref":"refs/heads/main","pushedAt":"2024-08-05T03:40:58.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/fasmifra_frag_dict.py: proper license and comment header","shortMessageHtmlLink":"bin/fasmifra_frag_dict.py: proper license and comment header"}},{"before":"a15eb349e8638f75855f00acee03208431b1064a","after":"7b5c14005d5d19a1b096bafb8215f67f318c5592","ref":"refs/heads/main","pushedAt":"2024-08-01T08:22:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra.{dump_seed_fragments, dump_branch_fragments}:\n\nuse array instead of list","shortMessageHtmlLink":"Fasmifra.{dump_seed_fragments, dump_branch_fragments}:"}},{"before":"02cd6e27c116ffc52e3c57f201825dd5c14a083d","after":"a15eb349e8638f75855f00acee03208431b1064a","ref":"refs/heads/main","pushedAt":"2024-08-01T08:18:54.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra: -of CLI option\n\ndump SMILES fragments to file;\nthe SMILES fragments are not guaranteed to be canonical SMILES;\nto be sure, they would have to be read then output again via rdkit","shortMessageHtmlLink":"Fasmifra: -of CLI option"}},{"before":"53dd2d4be9c90156888c96f21cb1ee2c9c3cd5a2","after":"02cd6e27c116ffc52e3c57f201825dd5c14a083d","ref":"refs/heads/main","pushedAt":"2024-08-01T07:35:11.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra.dump_fragment_smiles renamed to dump_smi_fragment","shortMessageHtmlLink":"Fasmifra.dump_fragment_smiles renamed to dump_smi_fragment"}},{"before":"0471c9dd4c51751cc81758b91b4319e8b563ff9c","after":"53dd2d4be9c90156888c96f21cb1ee2c9c3cd5a2","ref":"refs/heads/main","pushedAt":"2024-08-01T04:46:03.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/fasmifra_fragment.py: rm deprecation warning due to new rdkit version\n\nPairs.Utils.NumPiElectrons(a) becomes Chem.GetNumPiElectrons(a)","shortMessageHtmlLink":"bin/fasmifra_fragment.py: rm deprecation warning due to new rdkit ver…"}},{"before":"a2a439c11a139f33618fd075dc9c697e7366d512","after":"0471c9dd4c51751cc81758b91b4319e8b563ff9c","ref":"refs/heads/main","pushedAt":"2024-07-24T06:26:33.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"Fasmifra.main: just skip generated molecules with too many rings\n\ninstead of crashing previously","shortMessageHtmlLink":"Fasmifra.main: just skip generated molecules with too many rings"}},{"before":"33152723f5f6ac089bb37f316e3b083a3511058c","after":"a2a439c11a139f33618fd075dc9c697e7366d512","ref":"refs/heads/main","pushedAt":"2024-07-24T05:44:13.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"test.sh: assume software was installed properly via opam\n(i.e. they have run ./install.sh)\n\nfasmifra_fragment.py and fasmifra (exe) should be in their PATH","shortMessageHtmlLink":"test.sh: assume software was installed properly via opam"}},{"before":"af013ca907412fe76e0b378e23d2b0ad747f40e8","after":"33152723f5f6ac089bb37f316e3b083a3511058c","ref":"refs/heads/main","pushedAt":"2023-11-27T06:10:39.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"bin/fasmifra_fragment.py: added --brics CLI option\n\nforget about RECAP: the rdkit interface is unusable","shortMessageHtmlLink":"bin/fasmifra_fragment.py: added --brics CLI option"}},{"before":"d972862da09eb992edeb90b177403e5c657c04c8","after":"af013ca907412fe76e0b378e23d2b0ad747f40e8","ref":"refs/heads/main","pushedAt":"2023-05-16T00:45:48.835Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"readme","shortMessageHtmlLink":"readme"}},{"before":"ff5ddaea6103058353b3a18a69e4b17c77356ff5","after":"d972862da09eb992edeb90b177403e5c657c04c8","ref":"refs/heads/main","pushedAt":"2023-05-16T00:45:13.954Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"install.sh: should also work on Mac OS","shortMessageHtmlLink":"install.sh: should also work on Mac OS"}},{"before":"6cc610d65957422ca1336c6a6b5919ee84b4aae9","after":"ff5ddaea6103058353b3a18a69e4b17c77356ff5","ref":"refs/heads/main","pushedAt":"2023-05-16T00:12:24.209Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"install.sh: should be more robust","shortMessageHtmlLink":"install.sh: should be more robust"}},{"before":"156b35d2ad6182317b221853d138f5a66f2b49c3","after":"6cc610d65957422ca1336c6a6b5919ee84b4aae9","ref":"refs/heads/main","pushedAt":"2023-05-16T00:03:27.514Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"readme","shortMessageHtmlLink":"readme"}},{"before":"758020f28176af208fc43f21d5b842d3b200a56c","after":"156b35d2ad6182317b221853d138f5a66f2b49c3","ref":"refs/heads/main","pushedAt":"2023-05-16T00:01:06.554Z","pushType":"push","commitsCount":2,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"install.sh: set -u","shortMessageHtmlLink":"install.sh: set -u"}},{"before":"789954e9517399263974063cad89c0d97c3d3568","after":"758020f28176af208fc43f21d5b842d3b200a56c","ref":"refs/heads/main","pushedAt":"2023-05-08T02:09:19.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"updated readme","shortMessageHtmlLink":"updated readme"}},{"before":"5e534c290f52a48a7bf3a59036024ab3fbe34a9f","after":"789954e9517399263974063cad89c0d97c3d3568","ref":"refs/heads/main","pushedAt":"2023-05-08T02:01:49.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"UnixJunkie","name":"François Bérenger","path":"/UnixJunkie","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/737920?s=80&v=4"},"commit":{"message":"new file:   test.sh\n\nconcretely show users how to generate molecules,\nas in one iteration of an optimization loop","shortMessageHtmlLink":"new file: test.sh"}}],"hasNextPage":false,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEkr3eQwA","startCursor":null,"endCursor":null}},"title":"Activity · UnixJunkie/FASMIFRA"}