CUSTOM MDCATH #341
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CUSTOM MDCATH #341
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@stefdoerr @sef43 can you merge it? |
stefdoerr
approved these changes
Jan 28, 2025
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This PR introduces a custom version of MDCATH while preserving the original functionality to ensure backward compatibility.
New Arguments:
source_fileandfile_basename: these args enable users to create and train with their custom versions of the MDCATH dataset.numNoHAtomsby default isNone, max number of non-hydrogen atoms in the protein structure.These enhancements aim to provide users with greater flexibility in dataset handling and customization, aligning with diverse research needs.