perses.bias.BiasEngine¶

class perses.bias.BiasEngine(metadata)[source]¶

Generates the bias for expanded ensemble simulations

Methods

g_k(molecule_smiles)

Generate a biasing weight g_k for the state indicated.

__init__(metadata)[source]¶: Initialize self. See help(type(self)) for accurate signature.

Methods

`__init__`(metadata)	Initialize self.
`g_k`(molecule_smiles)	Generate a biasing weight g_k for the state indicated.

perses