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vldgroup/graph-pes

train and use graph-based ML models of potential energy surfaces

Owner
vldgroup (organization)
Stars
Stars: 131
Forks
Forks: 16
Language
Python
License
MIT
Created
2023
Topics
chemistrydeep-learningforce-fieldsframeworkmachine-learning
Tier
Prototype (100 to 249 ★) What this tier means
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