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general-molecular-simulations/so3lr

SO3krates and Universal Pairwise Force Field for Molecular Simulation

Owner
general-molecular-simulations (organization)
Stars
Stars: 237
Forks
Forks: 33
Language
Python
License
MIT
Created
2024
Topics
deep-learningforce-fieldinteratomic-potentialsjaxmachine-leariningmolecular-dynamicsquantum-chemistrycomputational-chemistry
Tier
Prototype (100 to 249 ★) What this tier means
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