metatensor

metatensor/metatrain

Train, fine-tune, and manipulate machine learning models for atomistic systems

4 good first / help-wanted issues · Python · last activity Jul 3, 2026

74 stars 37 forks 74 watchers Python BSD 3-Clause "New" or "Revised" License
atomistic-simulations machine-learning molecular-dynamics torch
4 Open Issues Need Help Last updated: Jul 3, 2026

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metatensor/metatrain
74

Train, fine-tune, and manipulate machine learning models for atomistic systems

Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch
metatensor/metatrain
74

Train, fine-tune, and manipulate machine learning models for atomistic systems

Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch
metatensor/metatrain
74

Train, fine-tune, and manipulate machine learning models for atomistic systems

Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch
Documentation Good first issue Priority: Medium
metatensor/metatrain
74

Train, fine-tune, and manipulate machine learning models for atomistic systems

Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch