OpenFF Evaluator documentation logo
  • OpenFF Evaluator documentation
  • Overview: module code
Overview: module code
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OpenFF Evaluator documentation

Getting Started

  • Overview
  • Installation
  • Architecture
  • Evaluator Client
  • Evaluator Server

Beginner Tutorials

  • 01 - Loading Data Sets
  • 02 - Estimating Data Sets
  • 03 - Analysing Data Sets

Intermediate Tutorials

  • 04 - Optimizing Force Fields

Data Sets

  • Overview
  • ThermoML Archive
  • Taproom
  • Data Set Curation

Physical Properties

  • Overview
  • Common Workflows
  • Gradients

Calculation Layers

  • Overview
  • Workflow Layers
  • Direct Simulation
  • MBAR Reweighting

Workflows

  • Overview
  • Replicators
  • Workflow Graphs
  • Protocols
  • Protocol Groups

Observables

  • Overview

Calculation Backends

  • Overview
  • Dask Backends

Storage Backends

  • Overview
  • Data Classes and Queries
  • Local File Backend

Developer Documentation

  • Building the Docs
  • API
  • Release History
  • Release Process

All modules for which code is available

  • openff.evaluator.attributes.attributes
  • openff.evaluator.datasets.curation.components.components
  • openff.evaluator.datasets.curation.components.conversion
  • openff.evaluator.datasets.curation.components.filtering
  • openff.evaluator.datasets.curation.components.selection
  • openff.evaluator.datasets.curation.components.thermoml
  • openff.evaluator.datasets.curation.workflow
  • openff.evaluator.datasets.datasets
  • openff.evaluator.datasets.provenance
  • openff.evaluator.datasets.thermoml.plugins
  • openff.evaluator.datasets.thermoml.thermoml
  • openff.evaluator.plugins
  • openff.evaluator.substances.amounts
  • openff.evaluator.substances.components
  • openff.evaluator.substances.substances
  • openff.evaluator.thermodynamics
  • openff.evaluator.utils.exceptions
  • pydantic.main
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