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materialyzeai/m3gnet

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

Archived: this repository is read-only

Owner
materialyzeai (organization)
Stars
Stars: 331
Forks
Forks: 76
Language
Python
License
BSD-3-Clause
Created
2022
Topics
deep-learninggraphmachine-learningmaterials-scienceneural-network
Tier
Alpha (250 to 699 ★) What this tier means
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