API

Documentation for each of the classes contained within the openff.evaluator framework.

Client Side API

Exceptions

Server Side API

Physical Property API

Built-in Properties

Substance Definition

State Definition

Data Set API

NIST ThermoML Archive

Taproom

Data Set Curation

Filtering

FreeSolv

ThermoML

Data Point Selection

Data Conversion

Force Field API

Gradient Estimation

Calculation Layers API

Built-in Calculation Layers

Calculation Backends API

Dask Backends

Storage API

Built-in Storage Backends

Data Classes

Data Queries

Attributes

Workflow API

Schemas

Attributes

Placeholder Values

Built-in Workflow Protocols

Analysis

Coordinate Generation

Force Field Assignment

Gradients

Groups

Miscellaneous

OpenMM

Paprika

Reweighting

Simulation

Storage

YANK Free Energies

Workflow Construction Utilities

Attribute Utilities

Observable Utilities

Plug-in Utilities

Plug-ins