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81

402

bsd-3-clause

18

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

spectroscopy deep-learning machine-learning materials-science materials-discovery machine-learning-force-field

Created 2020-01-25

1,821 commits to master branch, last one a day ago

39

365

mit

9

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

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

Created 2024-09-06

120 commits to main branch, last one about a month ago

4

32

other

2

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

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

Created 2024-04-02

213 commits to main branch, last one about a month ago