Improve resume predictions

KosinskiLab / AlphaPulldown

https://doi.org/10.1093/bioinformatics/btac749

GNU General Public License v3.0

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Improve resume predictions #353

Closed DimaMolod closed 3 weeks ago

DimaMolod commented 1 month ago

Die gracefully if the predictions are complete. Resume if result.pkl OR unrelaxed.pdb exist to make resume compatible with auto-removal of result pickles in postprocessing, eg:

https://github.com/KosinskiLab/AlphaPulldown/pull/333/commits/3e58f1601ef401a26c3cfcc8f45de11374daa457#diff-452d313f6161dfe09a11cf0442ab7d57165cef7ae1e71a23c0b1f6a878890cc7R306-R309

DimaMolod commented 3 weeks ago

Fixed in 2ff4774d2944a6bf228ee92c698000f24bd8d2c9