schrodinger.energy module¶

schrodinger::energy C++ wrappers

class schrodinger.energy.ComputeGradients¶

Bases: object

ENABLE = True¶

DISABLE = False¶

class schrodinger.energy.ANIModel¶

Bases: object

SCHRODINGER = 1¶

ANI_1CCX = 2¶

DESMOND = 3¶

class schrodinger.energy.ANIPrecision¶

Bases: object

SINGLE = 4¶

DOUBLE = 8¶

class schrodinger.energy.Solvent¶

Bases: object

NONE = 0¶

H2O = 1¶

class schrodinger.energy.QRNNModel¶

Bases: object

DIRECT_2022_1 = 1¶

DELTA_2022_1 = 2¶

DELTA_TRANSFER_2022_1 = 3¶

DIRECT_TRANSFER_2022_3 = 4¶