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basf/mlipx

Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside powerful visualization and comparison tools.

Owner
basf (organization)
Stars
Stars: 108
Forks
Forks: 8
Language
Python
License
MIT
Created
2024
Topics
interatomic-potentialsmachine-learningmaterials-informaticsmlipstesting-framework
Tier
Prototype (100 to 249 ★) What this tier means
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