tensorpotential

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TensorFlow based interface for ML potentials development, fitting and evaluation

Copied fromcf-post-staging / tensorpotential

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Installation

To install this package, run one of the following:

Conda

$conda install conda-forge::tensorpotential

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Description

Tensorpotential is a TensorFlow based tool for development, fitting ML interatomic potentials from electronic structure calculations data and perform computations using these potentials.

About

Summary

TensorFlow based interface for ML potentials development, fitting and evaluation

Last Updated

Jul 11, 2024 at 07:05

License

ASL

Total Downloads

7.0K

Supported Platforms

noarch

Home

https://github.com/ICAMS/TensorPotential

GitHub Repository

https://github.com/ICAMS/TensorPotential

Documentation

https://github.com/ICAMS/TensorPotential