drugforge.docking.schema.pose_generation

Classes

OpenEyeConstrainedPoseGenerator(*[, type, ...])

PoseEnergyMethod(value)

PoseSelectionMethod(value)

PosedLigands(*[, posed_ligands, failed_ligands])

A results class to handle the posed and failed ligands.

RDKitConstrainedPoseGenerator(*[, type, ...])

Use RDKit to embed multiple conformers of the molecule while constraining it to the template ligand.