Open AntonioMirarchi opened 2 weeks ago
This PR introduces a custom version of MDCATH while preserving the original functionality to ensure backward compatibility.
New Arguments:
source_file
file_basename
numNoHAtoms
None
These enhancements aim to provide users with greater flexibility in dataset handling and customization, aligning with diverse research needs.
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.