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‎dev/.buildinfo‎

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# Sphinx build info version 1
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# This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
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config: 7a9e39b840d53d0ea60cf5c793ececd1
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config: caa9dbc921aed7596640deed686e4cfc
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tags: 645f666f9bcd5a90fca523b33c5a78b7

‎dev/_sources/userguide.md.txt‎

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## Installation
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The stable version of OpenMM-ML can be installed with conda or mamba.
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The stable version of OpenMM-ML can be installed with pip.
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```bash
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mamba install -c conda-forge openmm-ml
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```
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We recommend using mamba, since it is faster and less buggy than conda.
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pip install openmmml
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```
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This installs only OpenMM-ML itself, not the packages that provide specific models. Those must be installed separately
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by following the instructions from the package developers.
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OpenMM-ML can also be installed with conda or mamba.
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```bash
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mamba install -c conda-forge openmm-ml
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```
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However, we generally recommend using pip because most of the packages that provide models are only available
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with pip, not conda.
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## Usage
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The central class in OpenMM-ML is `MLPotential`. It represents an MLIP that can be used for simulations. In the

‎dev/_static/documentation_options.js‎

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BUILDER: 'html',

‎dev/api.html‎

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<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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<title>API &#8212; OpenMM ML 1.5dev_86ce034 documentation</title>
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<title>API &#8212; OpenMM ML 1.5dev_0b5f6c8 documentation</title>
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‎dev/generated/openmmml.MLPotential.html‎

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<title>openmmml.MLPotential &#8212; OpenMM ML 1.5dev_0b5f6c8 documentation</title>
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‎dev/generated/openmmml.mlpotential.MLPotentialImpl.html‎

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<title>openmmml.mlpotential.MLPotentialImpl &#8212; OpenMM ML 1.5dev_0b5f6c8 documentation</title>
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‎dev/generated/openmmml.mlpotential.MLPotentialImplFactory.html‎

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<title>openmmml.mlpotential.MLPotentialImplFactory &#8212; OpenMM ML 1.5dev_86ce034 documentation</title>
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‎dev/generated/openmmml.models.aimnet2potential.AIMNet2PotentialImpl.html‎

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‎dev/generated/openmmml.models.anipotential.ANIPotentialImpl.html‎

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‎dev/generated/openmmml.models.asepotential.ASEPotentialImpl.html‎

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