schrodinger.energy module

schrodinger::energy C++ wrappers

class schrodinger.energy.MonoMetalComplexType

Bases: object

LFMM = 0
AOM = 1
MORSE = 2
DUMMY = 3
class schrodinger.energy.MetalForceFieldComponent

Bases: object

LIGAND_FIELD = 0
CHARGE_TRANSFER = 1
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.SolventModel

Bases: object

GBSA = 1
ALPB = 0
COSMO = 2
class schrodinger.energy.QRNNModel

Bases: object

DIRECT_2022_1 = 1
DELTA_2022_1 = 2
DELTA_TRANSFER_2022_1 = 3
DIRECT_TRANSFER_2022_3 = 4