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AlphaPulldown v2.6.1

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@DimaMolod DimaMolod released this 19 Aug 13:11
· 187 commits to main since this release

What's Changed

  • Added metadata to AlphaFold3 feature JSON files while preserving compatibility with vanilla AlphaFold3.
  • Preserved metadata when the AlphaFold3 backend uses native AlphaFold3, AlphaPulldown-generated AlphaFold3, AlphaFold2, or mixed feature inputs.
  • Added structured metadata to ModelCIF output, including the software, databases, parameters, and input information actually used.
  • Prevented local paths, internal flags, unused databases, and unused binaries from appearing in ModelCIF files.
  • Corrected metadata for custom PDB mmCIF and RNAcentral database mirrors.
  • Added compiled-AlphaFold3 compatibility checks and end-to-end tests covering feature generation, GPU inference, ModelCIF postprocessing, and mixed inputs.
  • Added --storage_mode presets for reducing AlphaFold2 and AlphaFold3 prediction output size by @DimaMolod.
  • Fixed inconsistent homooligomer naming by @Qrouger.
  • Added and verified support for NVIDIA Blackwell GPUs.
  • Fixed several compatibility and robustness issues.

Full Changelog: 2.5.0...2.6.1