prescient-design/StrainRelief: calculate the #ligand #strain of uncharged docked poses with different force fields
▻https://github.com/prescient-design/StrainRelief
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#molecularmodeling #energy #conformation #rdkit #strainrelief
prescient-design/StrainRelief: calculate the #ligand #strain of uncharged docked poses with different force fields
▻https://github.com/prescient-design/StrainRelief
— Permalink
#molecularmodeling #energy #conformation #rdkit #strainrelief