#Interatomic-potentials
Showing 4 of 4 repositories tagged #interatomic-potentials, ranked by stars
mir-group
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Score
0
★ 936
⑂ 209
+3/day
Python
mir-group
allegro
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
Score
100
★ 490
⑂ 75
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Python
atomind-ai
mlip-arena
🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=SAT0KPA5UO
Score
0
★ 104
⑂ 9
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Jupyter Notebook
lanl
hippynn
python library for atomistic machine learning
Score
50
★ 98
⑂ 38
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Python