schrodinger.energy module¶

schrodinger::energy C++ wrappers

class schrodinger.energy.ComputeGradients[source]¶

Bases: object

Enable = True¶

Disable = False¶

class schrodinger.energy.ANIModel[source]¶

Bases: object

SCHRODINGER = 1¶

ANI_1CCX = 2¶

DESMOND = 3¶

class schrodinger.energy.ANIPrecision[source]¶

Bases: object

SINGLE = 4¶

DOUBLE = 8¶