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AlphaUncommon

mir-group/allegro

Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials

Owner
mir-group (organization)
Stars
Stars: 506
Forks
Forks: 76
Language
Python
License
MIT
Created
2022
Topics
atomistic-simulationscomputational-chemistrydeep-learningdrug-discoveryforce-fieldsinteratomic-potentialsmachine-learningmaterials-sciencemolecular-dynamicspytorch
Tier
Alpha (250 to 699 ★) What this tier means
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