8000 mlff · GitHub Topics · GitHub

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mlff

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microsoft / mattersim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

machine-learning materials-science machine-learning-force-field computational-materials-science foundation-models ai4science ai4materials mlff

Updated May 8, 2025
Jupyter Notebook

usnistgov / chipsff

Evaluation of universal machine learning force-fields https://arxiv.org/abs/2412.10516

ai dft ml chips materials-science semiconductors machine-learning-force-field mlff

Updated May 2, 2025
Python

Eipgen / QM9-Benchmark-record

A update QM9 benchmark, update form the recent articles

benchmark qm9 mlff

Updated Nov 11, 2024

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