https://pypi.org/project/forcefill/ Recent updates to the Python Package Index for forcefill en https://pypi.org/project/forcefill/1.0.0/ Parameterize non-standard PDB residues (ligands, cofactors) into OpenMM force-field XML with AmberTools GAFF/AM1-BCC, OpenFF Sage or CHARMM CGenFF louies@hotmail.co.uk Fri, 18 Sep 2026 09:19:48 GMT