absl-py==2.1.0
aiofiles==23.2.1
aiohappyeyeballs==2.4.3
aiohttp==3.10.10
aiosignal==1.3.1
annotated-types==0.7.0
anyio==4.6.2.post1
argon2-cffi==23.1.0
argon2-cffi-bindings==21.2.0
arrow==1.3.0
asttokens==2.4.1
async-lru==2.0.4
async-timeout==4.0.3
attrs==24.2.0
babel==2.16.0
beautifulsoup4==4.12.3
bio==1.7.1
biopython==1.84
biothings-client==0.3.1
biotite==0.41.2
bleach==6.2.0
cachetools==5.5.0
certifi==2024.8.30
cffi==1.17.1
charset-normalizer==3.4.0
click==8.1.7
comm==0.2.2
debugpy==1.8.7
decorator==5.1.1
defusedxml==0.7.1
docker-pycreds==0.4.0
exceptiongroup==1.2.2
executing==2.1.0
fastapi==0.115.4
fastjsonschema==2.20.0
fastpdb==1.3.1
ffmpy==0.4.0
filelock==3.16.1
fqdn==1.5.1
frozenlist==1.5.0
fsspec==2024.10.0
gcsfs==2024.10.0
gitdb==4.0.11
GitPython==3.1.43
google-api-core==2.22.0
google-auth==2.35.0
google-auth-oauthlib==1.2.1
google-cloud-core==2.4.1
google-cloud-storage==2.18.2
google-crc32c==1.6.0
google-resumable-media==2.7.2
googleapis-common-protos==1.65.0
gprofiler-official==1.0.0
gradio==5.5.0
gradio_client==1.4.2
gradio_molecule3d==0.0.6
grpcio==1.67.1
h11==0.14.0
httpcore==1.0.6
httpx==0.27.2
huggingface-hub==0.26.2
idna==3.10
ipykernel==6.29.5
ipython==8.29.0
ipywidgets==8.1.5
isoduration==20.11.0
jedi==0.19.1
Jinja2==3.1.4
joblib==1.4.2
json5==0.9.25
jsonpointer==3.0.0
jsonschema==4.23.0
jsonschema-specifications==2024.10.1
jupyter-events==0.10.0
jupyter-lsp==2.2.5
jupyter_client==8.6.3
jupyter_core==5.7.2
jupyter_server==2.14.2
jupyter_server_terminals==0.5.3
jupyterlab==4.3.0
jupyterlab_pygments==0.3.0
jupyterlab_server==2.27.3
jupyterlab_widgets==3.0.13
lightning==2.4.0
lightning-utilities==0.11.8
Markdown==3.7
markdown-it-py==3.0.0
MarkupSafe==2.1.5
matplotlib-inline==0.1.7
mdurl==0.1.2
mistune==3.0.2
mpmath==1.3.0
msgpack==1.1.0
multidict==6.1.0
mygene==3.2.2
nbclient==0.10.0
nbconvert==7.16.4
nbformat==5.10.4
nest-asyncio==1.6.0
networkx==3.4.2
notebook_shim==0.2.4
numpy==1.26.4
nvidia-cublas-cu12==12.4.5.8
nvidia-cuda-cupti-cu12==12.4.127
nvidia-cuda-nvrtc-cu12==12.4.127
nvidia-cuda-runtime-cu12==12.4.127
nvidia-cudnn-cu12==9.1.0.70
nvidia-cufft-cu12==11.2.1.3
nvidia-curand-cu12==10.3.5.147
nvidia-cusolver-cu12==11.6.1.9
nvidia-cusparse-cu12==12.3.1.170
nvidia-nccl-cu12==2.21.5
nvidia-nvjitlink-cu12==12.4.127
nvidia-nvtx-cu12==12.4.127
oauthlib==3.2.2
orjson==3.10.11
overrides==7.7.0
packaging==24.1
pandas==2.2.3
pandocfilters==1.5.1
parso==0.8.4
pexpect==4.9.0
pillow==11.0.0
pinder==0.4.1
platformdirs==4.3.6
plotly==5.24.1
pooch==1.8.2
prometheus_client==0.21.0
prompt_toolkit==3.0.48
propcache==0.2.0
proto-plus==1.25.0
protobuf==5.28.3
psutil==6.1.0
ptyprocess==0.7.0
pure_eval==0.2.3
pyarrow==18.0.0
pyasn1==0.6.1
pyasn1_modules==0.4.1
pycparser==2.22
pydantic==2.9.2
pydantic_core==2.23.4
pydub==0.25.1
pyg-lib -f https://data.pyg.org/whl/torch-2.0.0+cpu.html
Pygments==2.18.0
pyparsing==3.2.0
python-dateutil==2.9.0.post0
python-dotenv==1.0.1
python-json-logger==2.0.7
python-multipart==0.0.12
pytorch-lightning==2.4.0
pytz==2024.2
PyYAML==6.0.2
pyzmq==26.2.0
referencing==0.35.1
requests==2.32.3
requests-oauthlib==2.0.0
rfc3339-validator==0.1.4
rfc3986-validator==0.1.1
rich==13.9.4
rootutils==1.0.7
rpds-py==0.20.1
rsa==4.9
ruff==0.7.2
safehttpx==0.1.1
scikit-learn==1.5.2
scipy==1.14.1
semantic-version==2.10.0
Send2Trash==1.8.3
sentry-sdk==2.18.0
setproctitle==1.3.3
shellingham==1.5.4
six==1.16.0
smmap==5.0.1
sniffio==1.3.1
soupsieve==2.6
stack-data==0.6.3
starlette==0.41.2
sympy==1.13.1
tabulate==0.9.0
tenacity==9.0.0
tensorboard==2.18.0
tensorboard-data-server==0.7.2
tensorboardX==2.6.2.2
terminado==0.18.1
threadpoolctl==3.5.0
tinycss2==1.4.0
tomli==2.0.2
tomlkit==0.12.0
torch==2.5.1
torch-geometric==2.6.1
torch_cluster==1.6.3+pt24cpu
torch_scatter==2.1.2+pt24cpu
torch_sparse==0.6.18+pt24cpu
torch_spline_conv==1.2.2+pt24cpu
torchmetrics==1.5.1
torchtyping==0.1.5
tornado==6.4.1
tqdm==4.66.6
traitlets==5.14.3
triton==3.1.0
typeguard==2.13.3
typer==0.13.0
types-python-dateutil==2.9.0.20241003
typing_extensions==4.12.2
tzdata==2024.2
uri-template==1.3.0
urllib3==2.2.3
uvicorn==0.32.0
wandb==0.18.5
wcwidth==0.2.13
webcolors==24.8.0
webencodings==0.5.1
websocket-client==1.8.0
websockets==12.0
Werkzeug==3.1.2
widgetsnbextension==4.0.13
yarl==1.17.1