requirements.txt

aiohttp==3.9.3
aiosignal==1.3.1
appdirs==1.4.4
ase==3.22.1
attrs==23.2.0
certifi==2024.2.2
charset-normalizer==3.3.2
click==8.1.7
contourpy==1.2.0
cycler==0.12.1
docker-pycreds==0.4.0
filelock==3.13.3
fonttools==4.50.0
frozenlist==1.4.1
fsspec==2024.3.1
future==1.0.0
gitdb==4.0.11
GitPython==3.1.43
h5py==3.10.0
idna==3.6
Jinja2==3.1.3
joblib==1.3.2
kiwisolver==1.4.5
latexcodec==3.0.0
lightning-utilities==0.11.2
looseversion==1.3.0
MarkupSafe==2.1.5
matplotlib==3.8.3
matscipy==1.0.0
monty==2024.3.31
mpmath==1.3.0
multidict==6.0.5
networkx==3.2.1
numpy==1.26.4
nvidia-cublas-cu12==12.1.3.1
nvidia-cuda-cupti-cu12==12.1.105
nvidia-cuda-nvrtc-cu12==12.1.105
nvidia-cuda-runtime-cu12==12.1.105
nvidia-cudnn-cu12==8.9.2.26
nvidia-cufft-cu12==11.0.2.54
nvidia-curand-cu12==10.3.2.106
nvidia-cusolver-cu12==11.4.5.107
nvidia-cusparse-cu12==12.1.0.106
nvidia-nccl-cu12==2.19.3
nvidia-nvjitlink-cu12==12.4.99
nvidia-nvtx-cu12==12.1.105
packaging==24.0
palettable==3.3.3
pandas==2.2.1
pillow==10.2.0
plotly==5.20.0
protobuf==4.25.3
psutil==5.9.8
pybtex==0.24.0
pymatgen==2024.3.1
pyparsing==3.1.2
python-dateutil==2.9.0.post0
pytorch-lightning==2.2.1
pytz==2024.1
PyYAML==6.0.1
requests==2.31.0
ruamel.yaml==0.18.6
ruamel.yaml.clib==0.2.8
scikit-learn==1.4.1.post1
scipy==1.12.0
sentry-sdk==1.44.0
setproctitle==1.3.3
six==1.16.0
smmap==5.0.1
spglib==2.3.1
sympy==1.12
tabulate==0.9.0
tenacity==8.2.3
threadpoolctl==3.4.0
torch==2.2.2
torch_cluster==1.6.3+pt22cu121
torch_geometric==2.5.2
torch_scatter==2.1.2+pt22cu121
torchmetrics==1.3.2
tqdm==4.66.2
triton==2.2.0
typing_extensions==4.10.0
tzdata==2024.1
uncertainties==3.1.7
urllib3==2.2.1
wandb==0.16.5
yarl==1.9.4