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Author:
metatrain developers
Summary:
Training and evaluating machine learning models for atomistic systems.
Latest version:
2026.3.1
Required dependencies:
ase
|
huggingface_hub
|
jsonschema
|
metatensor-learn
|
metatensor-operations
|
metatensor-torch
|
metatomic-ase
|
metatomic-torch
|
numpy
|
omegaconf
|
pydantic
|
python-hostlist
|
sphericart-torch
|
tqdm
|
typing_extensions
|
vesin
Optional dependencies:
deepmd-kit
|
e3nn
|
featomic-torch
|
mace-torch
|
opt-einsum
|
physical_basis
|
scipy
|
skmatter
|
torch
|
torch-spex
|
wigners
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