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mlff

Here are 3 public repositories matching this topic...

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 19, 2025
Jupyter Notebook

usnistgov / chipsff

Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093

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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