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conda-forge / packages / iprpy-data 2023.07.25

NIST Interatomic Potential Repository property calculation tools

copied from cf-staging / iprpy-data

Installers

  • noarch v2023.07.25

conda install

To install this package run one of the following:
conda install conda-forge::iprpy-data

Description

The iprPy framework is a collection of tools and resources supporting the design of scientific calculations that are open source with minimum barriers for usage, have transparent methodologies supporting knowledge transfer and education, produce results that are both human and machine readable, allow investigations into method and parameter sensitivity, and can be integrated into workflows


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