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mushroomfire
mdapy

A simple and fast python library to handle the data generated from molecular dynamics simulations

22K 98 13
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

465 99 9
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