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license-image:https://img.shields.io/badge/license-GPL3.0-green.svg license-url:https://github.com/divelab/AIRS/blob/main/LICENSE contributing-image:https://img.shields.io/badge/contributions-welcome-brightgreen.svg?style=flat
ocp is the Open Catalyst Project's library of state-of-the-art machine learning algorithms for catalysis.
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
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The main features of materials-consortia/optimade-python-tools are: Datasets and Databases.
Open-source alternatives to materials-consortia/optimade-python-tools include: deepmodeling/ais-square. divelab/airs — [license-image]:https://img.shields.io/badge/license-GPL3.0-green.svg [license-url]:https://github.com/divelab/AIRS/blo… facebookresearch/fairchem — ocp is the Open Catalyst Project's library of state-of-the-art machine learning algorithms for catalysis. jla-gardner/load-atoms — load-atoms is a Python package for Loading Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS). See the… materials-consortia/optimade — The OPTIMADE Specification. airi-institute/nabladft — nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset.
