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JaGeo authored Mar 22, 2024
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[![Testing Linux](https://github.com/QuantumChemist/autoplex/actions/workflows/python-package.yml/badge.svg)](https://github.com/QuantumChemist/autoplex/actions/workflows/python-package.yml)
[![Testing Linux](https://github.com/JaGeo/autoplex/actions/workflows/python-package.yml/badge.svg)](https://github.com/JaGeo/autoplex/actions/workflows/python-package.yml)
# autoplex

Software for generating and benchmarking machine learning (ML) based interatomic potentials. The aim of **autoplex** is to provide a fully automated solution for creating high-quality ML potentials. The software is interfaced to multiple different ML potential fitting frameworks and to the atomate2 environment for efficient high-throughput computations. The vision of this project is to allow a wide community of researchers to create accurate and reliable ML potentials for materials simulations.
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