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v0.15.2

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@Arturossi Arturossi released this 13 Jul 05:42

Added

  • OCScore_models/: four pretrained, ready-to-score OCScore configurations from the DUDEz ablation study (#03, #05, #09, #12#03 is the configuration recommended in the manuscript). See OCScore_models/README.md.
  • examples/25_ocscore_score_with_shipped_models.py: scores a raw pipeline archive with any shipped configuration.

Fixed

  • ocdocker ocscore validate and ocdocker ocscore load now accept --pdbbind-export-dir, so a DUDEz transfer bundle whose linked PDBbind export moved (e.g. shipped in OCScore_models/) can be sanity-checked standalone.

Changed

  • CITATION.cff/README.md now cite Zenodo's concept DOI (10.5281/zenodo.21330171) instead of a version-pinned DOI.

Full Changelog: v0.15.1...v0.15.2