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Dependencies for deepmd-kit
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Dependencies of deepmd-kit (66).
Dependency
Optional
Group
array-api-compat
false
dargs
false
einops
false
h5py
false
importlib_metadata
false
lmdb
false
mendeleev
false
ml_dtypes
false
msgpack
false
numpy
false
packaging
false
pyyaml
false
scipy
false
typing_extensions
false
wcmatch
false
array-api-strict
true
test
ase
true
test
breathe
true
docs
deepmodeling-sphinx
true
docs
dpdata
true
test
dpgui
true
test
e3nn
true
dpa-adapt
exhale
true
docs
flax
true
jax
horovod
true
mpi
ipi
true
ipi
jax
true
jax
lammps
true
lmp
mpi4py
true
mpi
mpich
true
torch
myst-nb
true
docs
myst-parser
true
docs
numpydoc
true
docs
nvalchemi-toolkit
true
test
nvalchemi-toolkit-ops
true
torch
nvidia-cublas-cu12
true
cu12
nvidia-cuda-nvcc-cu12
true
cu12
nvidia-cuda-runtime-cu12
true
cu12
nvidia-cudnn-cu12
true
cu12
nvidia-cufft-cu12
true
cu12
nvidia-curand-cu12
true
cu12
nvidia-cusolver-cu12
true
cu12
nvidia-cusparse-cu12
true
cu12
orbax-checkpoint
true
jax
pygments-lammps
true
docs
pytest
true
test
pytest-cov
true
test
pytest-split
true
test
pytest-sugar
true
test
pytest-timeout
true
test
rdkit
true
dpa-adapt
scikit-learn
true
test
sphinx
true
docs
sphinx-argparse
true
docs
sphinx-autoapi
true
docs
sphinx-book-theme
true
docs
sphinx-design
true
docs
sphinx-remove-toctrees
true
docs
sphinxcontrib-bibtex
true
docs
sphinxcontrib-moderncmakedomain
true
docs
sphinxcontrib-programoutput
true
docs
tensorflow
true
cpu
tensorflow-cpu
true
cpu
tensorflow-metal
true
gpu
torch
true
dpa-adapt
vesin
true
torch