VectorInstitute/atomgen

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

GitHub repository with 10 stars and 1 forks.

Language: Python

Topics: ai-for-science, atomistic-machine-learning, atomistic-models, atomistic-simulations, fine-tuning, huggingface, machine-learning, materials-science, pretrained-models, pytorch

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2026-06-05: 10 stars and 1 forks.

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