OpenFF Evaluator documentation
API
FingerPrintType

FingerPrintType

openff-evaluator

OpenFF Evaluator documentation

openff-evaluator

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

FingerPrintType

class openff.evaluator.datasets.curation.components.selection.FingerPrintType(value)[source]

An enumeration.

__init__()

Attributes

`Tree`
`MACCS166`

ConvertExcessDensityDataSchema

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An Open Force Field Initiative project.