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Author:
Zatom-AI
License:
Nucleus Copyright (c) 2026, The Regents of the University of California,
through Lawrence Berkeley National Laboratory (subject to receipt of
any required approvals from the U.S. Dept....
Summary:
Shared utilities and training infrastructure for atomistic foundation models.
Latest version:
1.0.6
Required dependencies:
atomworks
|
beartype
|
cuequivariance
|
cuequivariance-ops-cu13
|
cuequivariance-ops-torch-cu13
|
cuequivariance-torch
|
dm-tree
|
einops
|
einx
|
environs
|
huggingface-hub
|
hydra-colorlog
|
hydra-core
|
jaxtyping
|
lightning
|
loralib
|
opt-einsum
|
pandas
|
pyarrow
|
pydantic
|
rc-foundry
|
rich
|
rootutils
|
toolz
|
torch
|
torchdata
|
typer
|
wandb
|
zstandard
Optional dependencies:
accelerate
|
atomworks
|
biopython
|
biotite
|
debugpy
|
fpsim2
|
huggingface-hub
|
ipdb
|
ipykernel
|
matminer
|
posebusters
|
pre-commit
|
prody
|
pydantic
|
pymatgen
|
pytest
|
pytest-benchmark
|
pytest-cov
|
pytest-dotenv
|
pytest-testmon
|
pytest-xdist
|
rdkit
|
riboseek
|
ruff
|
smact
|
torch-geometric
|
tqdm
|
transformers
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