# MLatom 3.25.5 was tested in an environment with these package versions (Python 3.11.5, Linux x86-64).
# Give the file to pip as constraints, which fix versions but install nothing by themselves, e.g.:
#   pip install mlatom -c mlatom_constraints.txt
absl-py==2.3.1
aimnet==0.0.1
aiohappyeyeballs==2.6.1
aiohttp==3.13.1
aiosignal==1.4.0
alembic==1.17.0
annotated-types==0.8.0
antlr4-python3-runtime==4.9.3
ase==3.26.0
astunparse==1.6.3
attrs==25.4.0
autograd==1.8.0
bcrypt==5.0.0
beartype==0.22.2
bibtexparser==1.4.3
Bottleneck==1.6.0
certifi==2025.10.5
cffi==2.0.0
charset-normalizer==3.4.4
cli_helpers==2.14.0
click==8.1.7
cloudpickle==3.1.1
colorlog==6.10.1
ConfigArgParse==1.7.1
configobj==5.0.9
contourpy==1.3.3
cryptography==46.0.3
cycler==0.12.1
dask==2025.10.0
decorator==5.2.1
Deprecated==1.2.18
distributed==2025.10.0
docker-pycreds==0.4.0
docstring_parser==0.17.0
e3nn==0.5.0
einops==0.8.1
et_xmlfile==2.0.0
fabric==3.2.2
filelock==3.20.0
flatbuffers==25.9.23
fonttools==4.60.1
fortranformat==2.0.3
frozenlist==1.8.0
fsspec==2025.9.0
future==1.0.0
gast==0.6.0
geometric==1.1
gitdb==4.0.12
GitPython==3.1.45
google-pasta==0.2.0
greenlet==3.2.4
grpcio==1.75.1
h5py==3.15.1
hydra-core==1.3.2
hyperopt==0.2.7
idna==3.11
importlib_metadata==8.7.0
intel-cmplr-lib-ur==2025.2.1
intel-openmp==2025.2.1
invoke==2.2.1
Jinja2==3.1.6
joblib==1.5.2
julia==0.6.2
keras==3.11.3
kiwisolver==1.4.9
lark-parser==0.12.0
libclang==18.1.1
lightning==2.5.5
lightning-utilities==0.15.2
llvmlite==0.43.0
lmdb==1.7.5
locket==1.0.0
Mako==1.3.10
Markdown==3.9
markdown-it-py==4.0.0
MarkupSafe==3.0.3
matplotlib==3.10.7
matscipy==1.1.1
mdurl==0.1.2
memory-profiler==0.61.0
mkl==2025.2.0
mkl-service==2.5.2
ml_dtypes==0.5.3
mlatom==3.25.5
monty==2025.3.3
mpmath==1.3.0
msgpack==1.1.2
multidict==6.7.0
namex==0.1.0
narwhals==2.8.0
natsort==8.4.0
networkx==3.5
numba==0.60.0
numexpr==2.14.1
numpy==1.26.4
nvidia-cublas-cu12==12.6.4.1
nvidia-cuda-cupti-cu12==12.6.80
nvidia-cuda-nvrtc-cu12==12.6.77
nvidia-cuda-runtime-cu12==12.6.77
nvidia-cudnn-cu12==9.5.1.17
nvidia-cufft-cu12==11.3.0.4
nvidia-cufile-cu12==1.11.1.6
nvidia-curand-cu12==10.3.7.77
nvidia-cusolver-cu12==11.7.1.2
nvidia-cusparse-cu12==12.5.4.2
nvidia-cusparselt-cu12==0.6.3
nvidia-nccl-cu12==2.26.2
nvidia-nvjitlink-cu12==12.6.85
nvidia-nvtx-cu12==12.6.77
omegaconf==2.3.0
openbabel-wheel==3.1.1.23
openpyxl==3.1.5
opt_einsum==3.4.0
opt-einsum-fx==0.1.4
optree==0.17.0
optuna==4.5.0
orjson==3.11.3
packaging==25.0
palettable==3.3.3
pandas==2.3.3
paramiko==4.0.0
partd==1.4.2
patsy==1.0.1
pgcli==4.4.0
pgspecial==2.2.1
pillow==12.0.0
pkbar==0.5
platformdirs==4.5.0
plotly==6.3.1
prettytable==3.16.0
propcache==0.4.1
protobuf==5.29.5
psutil==7.1.0
py4j==0.10.9.9
pycparser==2.23
pydantic==2.13.5
pydantic_core==2.46.5
Pygments==2.19.2
pyh5md==1.2.0
pymatgen==2025.10.7
PyNaCl==1.6.0
pyparsing==3.2.5
pyscf==2.10.0
python-dateutil==2.9.0.post0
python_hostlist==2.3.0
pytorch-ignite==0.5.3
pytorch-lightning==2.5.5
pytz==2025.2
pyvibdmc==1.3.9
PyYAML==6.0.3
rdkit==2025.9.1
requests==2.32.5
rich==14.2.0
rmsd==1.6.4
ruamel.yaml==0.18.15
ruamel.yaml.clib==0.2.14
scikit-learn==1.7.2
scipy==1.17.0
sentry-sdk==2.42.0
setproctitle==1.3.7
six==1.17.0
smmap==5.0.2
sortedcontainers==2.4.0
spglib==2.6.0
SQLAlchemy==2.0.44
sqlparse==0.5.5
statsmodels==0.14.5
sympy==1.14.0
tabulate==0.10.0
tbb==2022.2.0
tblib==3.1.0
tcmlib==1.4.0
tensorboard==2.20.0
tensorboard-data-server==0.7.2
tensorflow==2.20.0
termcolor==3.1.0
threadpoolctl==3.6.0
toolz==1.1.0
torch==2.7.0
torch-ema==0.3
torchani==2.2.4
torchmetrics==1.8.2
tornado==6.5.2
tqdm==4.67.1
triton==3.3.0
typing_extensions==4.15.0
typing-inspection==0.4.4
tzdata==2025.2
tzlocal==5.3.1
umf==0.11.0
uncertainties==3.2.3
urllib3==2.5.0
wandb==0.18.7
wcwidth==0.2.14
Werkzeug==3.1.3
wrapt==1.17.3
xgboost==3.1.0
yarl==1.22.0
zict==3.0.0
zipp==3.23.0