schrodinger.forcefield.constants module

Copyright Schrodinger, LLC. All rights reserved.

Module of constants commonly used in force field python software, which includes the ffbuilder components.

class schrodinger.forcefield.constants.GeometryOptMethod(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)

Bases: enum.Enum

DFT = 'DFT'

ANN = 'QRNN'

DEFAULT = 'QRNN'