openteamsinc
pypi/deepmd-kit
Risk Profile
Package
Source
Risk Profile
Maturity:
Mature
Health:
Healthy
Legal:
Unknown
License could not be determined
Package was not published with a license
Security:
Healthy
Package
pypi
deepmd-kit
Version
3.2.0
Last Release Date
about 1 month ago
License
Not specified
Dependencies
numpy
>=1.21
scipy
pyyaml
dargs
>=0.4.7
typing_extensions
>=4.0.0
importlib_metadata
>=1.4
h5py
h5py
!=3.11.0, >=3.6.0
wcmatch
einops
packaging
ml_dtypes
mendeleev
array-api-compat
lmdb
msgpack
test:
dpdata
>=0.2.7
ase
>=3.23.0
pytest
pytest-cov
pytest-sugar
pytest-split
pytest-timeout
dpgui
scikit-learn
nvalchemi-toolkit
array-api-strict
>=2.2
dpa-adapt:
scikit-learn
dpdata
torch
ase
rdkit
e3nn
docs:
sphinx
>=8
sphinx-book-theme
myst-nb
>=1.4.0
myst-parser
>=5.1.0
sphinx-design
breathe
exhale
>=0.3.7
numpydoc
ase
deepmodeling-sphinx
>=0.3.0
dargs
>=0.3.4
sphinx-argparse
<0.5.0
pygments-lammps
sphinxcontrib-bibtex
sphinx-autoapi
<4, >=3.0.0
sphinxcontrib-programoutput
sphinxcontrib-moderncmakedomain
sphinx-remove-toctrees
lmp:
lammps
[mpi]
~=2025.7.22.2.0
ipi:
ipi
nvalchemi:
nvalchemi-toolkit
gui:
dpgui
cu12:
nvidia-cuda-runtime-cu12
nvidia-cublas-cu12
nvidia-cufft-cu12
nvidia-curand-cu12
nvidia-cusolver-cu12
nvidia-cusparse-cu12
nvidia-cudnn-cu12
nvidia-cuda-nvcc-cu12
jax:
jax
>=0.4.33
jax
>=0.4.33
flax
>=0.10.0
flax
>=0.10.0
orbax-checkpoint
orbax-checkpoint
cpu:
tensorflow-cpu
==2.18.1
tensorflow
==2.18.1
gpu:
tensorflow
==2.18.1
tensorflow-metal
mpi:
horovod
mpi4py
torch:
torch
==2.11.0.*
e3nn
>=0.5.9
vesin
[torch]
nvalchemi-toolkit-ops
>=0.3.1
mpich
torch
==2.11.0
torch
Source
Location
deepmodeling/deepmd-kit
Last Source Update
7 days ago
Licenses
GNU Lesser General Public License v3.0 or later
Unknown
Distribution Destinations
pypi/deepmd-kit
npm/deepmd-kit
