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View All on GitHub Writing per-atom targets with `::` in XYZ files breaks ASE about 1 month ago
Bug Good first issue
Train, fine-tune, and manipulate machine learning models for atomistic systems
Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch
Good first issue Enhancement
Train, fine-tune, and manipulate machine learning models for atomistic systems
Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch
Suggest updating metatrain if we can no load a checkpoint with a too recent `checkpoint_version` 10 months ago
Good first issue
Train, fine-tune, and manipulate machine learning models for atomistic systems
Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch
[DOC] Improve rendering of architecture documentation 10 months ago
Documentation Good first issue Priority: Medium
Train, fine-tune, and manipulate machine learning models for atomistic systems
Python
#atomistic-simulations#machine-learning#molecular-dynamics#torch