/tools/mlip-arena

mlip-arena

atomind-ai/mlip-arena

89 stars8 forksJupyter NotebookWebsiteAdded February 8, 2026
summary

MLIP Arena is a benchmark platform designed to evaluate machine learning interatomic potentials (MLIPs) beyond conventional error metrics. It aims to improve the predictive accuracy and efficiency of molecular modeling by assessing the physical soundness of MLIPs in real-world scenarios.

description

🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=SAT0KPA5UO

topics

interatomic-potentialsmachine-learningquantum-chemistrybenchmark-frameworkmaterialsmolecules

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