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Fix FABind, DynamicBind, and RFAA Conda environments Code Quality Main #59: Commit 8373e8f pushed by amorehead
June 4, 2024 17:18 2m 26s main
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June 4, 2024 17:18 2m 26s
Add official support for DockGen and pocket-only PoseBusters Benchmar… Code Quality Main #58: Commit 6291a82 pushed by amorehead
June 4, 2024 00:17 2m 26s main
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June 4, 2024 00:17 2m 26s
Update configs to support the new DockGen dataset as well as pocket-b… Code Quality Main #57: Commit 07b3acd pushed by amorehead
June 3, 2024 22:50 2m 10s main
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June 3, 2024 22:50 2m 10s
Add full dataset interaction notebook materials Code Quality Main #56: Commit 8121755 pushed by amorehead
June 3, 2024 22:13 2m 13s main
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June 3, 2024 22:13 2m 13s
Fix notebook typo Code Quality Main #55: Commit fabac54 pushed by amorehead
June 3, 2024 19:29 2m 11s main
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June 3, 2024 19:29 2m 11s
Add extra checks Code Quality Main #54: Commit 1f50a40 pushed by amorehead
June 3, 2024 18:54 2m 1s main
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June 3, 2024 18:54 2m 1s
Update comment Code Quality Main #53: Commit 79c8175 pushed by amorehead
June 3, 2024 18:33 2m 14s main
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June 3, 2024 18:33 2m 14s
Downgrade pyparsing to fix RFAA output extraction with Python 3.10 Code Quality Main #52: Commit 125d075 pushed by amorehead
June 3, 2024 18:10 2m 13s main
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June 3, 2024 18:10 2m 13s
Update ca-certs Code Quality Main #51: Commit 13da7c4 pushed by amorehead
June 2, 2024 19:25 2m 24s main
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June 2, 2024 19:25 2m 24s
Simplify inference analysis script Code Quality Main #50: Commit e2e9c5e pushed by amorehead
June 2, 2024 17:53 2m 17s main
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June 2, 2024 17:53 2m 17s
Handle for missing relaxed NeuralPLexer structures n some dataset con… Code Quality Main #49: Commit 9e1ff60 pushed by amorehead
June 2, 2024 02:26 2m 8s main
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June 2, 2024 02:26 2m 8s
Add FABind to remaining list in inference_analysis Code Quality Main #48: Commit 1ae822c pushed by amorehead
June 1, 2024 18:50 2m 3s main
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June 1, 2024 18:50 2m 3s
Make complex alignment ligand parsing more robust Code Quality Main #47: Commit 74aeb59 pushed by amorehead
June 1, 2024 18:43 2m 12s main
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June 1, 2024 18:43 2m 12s
Ensure that RDKit is installed via Conda and not pip Code Quality Main #46: Commit 3adbfca pushed by amorehead
June 1, 2024 18:10 2m 13s main
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June 1, 2024 18:10 2m 13s
Do not load all mol_true conformers during inference analysis Code Quality Main #45: Commit 140e300 pushed by amorehead
June 1, 2024 03:10 1m 57s main
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June 1, 2024 03:10 1m 57s
Catch RDKit failed optimization exceptions Code Quality Main #44: Commit c8466bb pushed by amorehead
May 31, 2024 18:45 2m 2s main
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May 31, 2024 18:45 2m 2s
Add try-catch Code Quality Main #43: Commit e6dbbe3 pushed by amorehead
May 31, 2024 01:24 2m 1s main
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May 31, 2024 01:24 2m 1s
Make missing prediction skipping more robust for inference analysis Code Quality Main #42: Commit 99d41d9 pushed by amorehead
May 31, 2024 01:14 2m 3s main
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May 31, 2024 01:14 2m 3s
Update PoseBench Conda environment to Python 3.10 to fix openmmforcef… Code Quality Main #41: Commit bbd4a0a pushed by amorehead
May 29, 2024 23:40 2m 12s main
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May 29, 2024 23:40 2m 12s
Set skip_existing=true always for DiffDock and NeuralPLexer Code Quality Main #40: Commit eb5202d pushed by amorehead
May 29, 2024 18:39 2m 22s main
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May 29, 2024 18:39 2m 22s
Catch another edge case Code Quality Main #39: Commit 241e260 pushed by amorehead
May 29, 2024 02:20 2m 5s main
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May 29, 2024 02:20 2m 5s
Handle an edge case for DynamicBind inference analysis Code Quality Main #38: Commit b718d40 pushed by amorehead
May 29, 2024 02:15 2m 12s main
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May 29, 2024 02:15 2m 12s
Make DynamicBind file quantity assessment more robust for inference r… Code Quality Main #37: Commit 8f182bd pushed by amorehead
May 29, 2024 01:32 2m 23s main
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May 29, 2024 01:32 2m 23s
Make inference relaxation skipping of already-relaxed files more robust Code Quality Main #36: Commit 79d8522 pushed by amorehead
May 28, 2024 16:12 2m 10s main
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May 28, 2024 16:12 2m 10s
Make DiffDock skip_existing logic even more robust Code Quality Main #35: Commit 5f069e7 pushed by amorehead
May 26, 2024 14:40 2m 4s main
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May 26, 2024 14:40 2m 4s