🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
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Updated
Oct 18, 2024
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
A machine learning environment for atomic-scale modeling in surface science and catalysis.
python library for atomistic machine learning
Library for handling atomistic graph datasets focusing on transformer-based implementations, with utilities for training various models, experimenting with different pre-training tasks, and a suite of pre-trained models with huggingface integrations
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