Additions to MayaChemTools
26 11 21 - Filed in: Rdkit Python computational chemistry MayaChemTools
A couple of new scripts have been added to the excellent MayaChemTools growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs.
RDKitFilterTorsionLibraryAlerts.py - Filter torsion library alerts Direct Link
Psi4CalculateInteractionEnergy.py - Calculate interaction energy Direct Link.
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