alphafold3-pytorch

Implementation of Alphafold 3 in Pytorch

MIT License

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Ecosystems: Python

alphafold3-pytorch - 0.2.128

Published by lucidrains 2 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.127...0.2.128

alphafold3-pytorch - 0.2.127

Published by lucidrains 2 months ago

What's Changed

Fix batching of missing_atom_masks, and clean up code by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/160

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.126...0.2.127

alphafold3-pytorch - 0.2.126

Published by lucidrains 2 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.125...0.2.126

alphafold3-pytorch - 0.2.125

Published by lucidrains 3 months ago

What's Changed

Add function to compute model selection score, and fix various bugs along the way by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/159

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.124...0.2.125

alphafold3-pytorch - 0.2.124

Published by lucidrains 3 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.123...0.2.124

alphafold3-pytorch - 0.2.123

Published by lucidrains 3 months ago

alphafold3-pytorch - 0.2.122

Published by lucidrains 3 months ago

alphafold3-pytorch - 0.2.121

Published by lucidrains 3 months ago

alphafold3-pytorch - 0.2.120

Published by lucidrains 3 months ago

alphafold3-pytorch - 0.2.119

Published by lucidrains 3 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.118...0.2.119

alphafold3-pytorch - 0.2.118

Published by lucidrains 3 months ago

What's Changed

Add code necessary for overfitting experiments by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/151

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.117...0.2.118

alphafold3-pytorch - 0.2.117

Published by lucidrains 3 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.116...0.2.117

alphafold3-pytorch - 0.2.116

Published by lucidrains 3 months ago

What's Changed

Re-silence RDKit's logs by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/150

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.115...0.2.116

alphafold3-pytorch - 0.2.115

Published by lucidrains 3 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.114...0.2.115

alphafold3-pytorch - 0.2.114

Published by lucidrains 3 months ago

What's Changed

Fix various edge case bugs raised during training-time cropping by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/149

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.111...0.2.114

alphafold3-pytorch - 0.2.112

Published by lucidrains 3 months ago

What's Changed

Fix various edge case bugs raised during training-time cropping by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/149

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.111...0.2.112

alphafold3-pytorch - 0.2.111

Published by lucidrains 3 months ago

What's Changed

Catch RDKit sanitization errors by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/147
Increase test set's Tanimoto similarity threshold for ligands by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/148

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.109...0.2.111

alphafold3-pytorch - 0.2.109

Published by lucidrains 3 months ago

What's Changed

Fix missing_atom_mask collation bug by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/146

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.108...0.2.109

alphafold3-pytorch - 0.2.108

Published by lucidrains 3 months ago

What's Changed

No longer try to coerce label atom IDs during training-time bond installation by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/143
Fix edge case in determining the indices of atom types for atomized Chem.Mol objects by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/144
Fix case where individual chains are sampled by @amorehead in https://github.com/lucidrains/alphafold3-pytorch/pull/145

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.107...0.2.108

alphafold3-pytorch - 0.2.107

Published by lucidrains 3 months ago

Full Changelog: https://github.com/lucidrains/alphafold3-pytorch/compare/0.2.106...0.2.107

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