requirements.txt

aiohappyeyeballs==2.4.0
aiohttp==3.10.5
aiosignal==1.3.1
antlr4-python3-runtime==4.9.3
async-timeout==4.0.3
attrs==24.2.0
biotite==1.0.1
biotraj==1.2.1
certifi==2024.8.30
charset-normalizer==3.3.2
dm-tree==0.1.8
einops==0.8.0
fair-esm==2.0.0
filelock==3.13.1
frozenlist==1.4.1
fsspec==2024.2.0
hydra-core==1.3.2
idna==3.10
Jinja2==3.1.3
lightning==2.4.0
lightning-utilities==0.11.7
MarkupSafe==2.1.5
mpmath==1.3.0
msgpack==1.1.0
multidict==6.1.0
networkx==3.2.1
numpy==1.26.3
nvidia-cublas-cu11==11.11.3.6
nvidia-cuda-cupti-cu11==11.8.87
nvidia-cuda-nvrtc-cu11==11.8.89
nvidia-cuda-runtime-cu11==11.8.89
nvidia-cudnn-cu11==9.1.0.70
nvidia-cufft-cu11==10.9.0.58
nvidia-curand-cu11==10.3.0.86
nvidia-cusolver-cu11==11.4.1.48
nvidia-cusparse-cu11==11.7.5.86
nvidia-nccl-cu11==2.20.5
nvidia-nvtx-cu11==11.8.86
omegaconf==2.3.0
packaging==24.1
pillow==10.2.0
psutil==6.0.0
pyparsing==3.1.4
pytorch-lightning==2.4.0
PyYAML==6.0.2
requests==2.32.3
scipy==1.14.1
sympy==1.12
torch==2.4.1+cu118
torch-geometric==2.6.0
torchaudio==2.4.1+cu118
torchmetrics==1.4.2
torchvision==0.19.1+cu118
tqdm==4.66.5
triton==3.0.0
typing_extensions==4.9.0
urllib3==2.2.3
yarl==1.11.1