requirements.txt

aiohttp==3.8.6
aiosignal==1.3.1
async-timeout==4.0.3
attrs==23.1.0
certifi==2023.7.22
charset-normalizer==3.3.0
filelock==3.12.4
frozenlist==1.4.0
fsspec==2023.9.2
idna==3.4
Jinja2==3.1.2
joblib==1.3.2
lightning-utilities==0.9.0
MarkupSafe==2.1.3
mpmath==1.3.0
multidict==6.0.4
networkx==3.1
numpy==1.26.0
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==2.18.1
nvidia-nvjitlink-cu12==12.2.140
nvidia-nvtx-cu12==12.1.105
packaging==23.2
pandas==2.1.1
Pillow==9.3.0
python-dateutil==2.8.2
pytorch-lightning==2.0.9.post0
pytz==2023.3.post1
PyYAML==6.0.1
rdkit-pypi==2022.9.5
requests==2.31.0
scikit-learn==1.3.1
scipy==1.11.3
selfies==2.1.1
six==1.16.0
sympy==1.12
threadpoolctl==3.2.0
torch==2.1.0+cu118
torchaudio==2.1.0+cu118
torchdata==0.7.0
torchmetrics==1.2.0
torchtext==0.16.0
torchvision==0.16.0+cu118
tqdm==4.66.1
triton==2.1.0
typing_extensions==4.8.0
tzdata==2023.3
urllib3==2.0.6
yarl==1.9.2