schrodinger.application.jaguar.esol_constants module

Holds constants used in various E-Sol files

class schrodinger.application.jaguar.esol_constants.ConfFilters

Bases: StrEnum

Enum for the different conformer filters available in Esol.

QRNN = 'QRNN'

MLFF = 'MLFF'

XTB = 'xTB'

NONE = 'NONE'