absl-py==2.1.0
aiofiles==23.2.1
annotated-types==0.7.0
anyio==4.8.0
argon2-cffi==23.1.0
argon2-cffi-bindings==21.2.0
arrow==1.3.0
asttokens==3.0.0
async-lru==2.0.4
attrs==25.1.0
babel==2.16.0
beautifulsoup4==4.12.3
biopython==1.83
biotite==1.0.1
biotraj==1.2.2
bleach==6.2.0
certifi==2024.12.14
cffi==1.17.1
charset-normalizer==3.4.1
click==8.1.8
colorama==0.4.6
comm==0.2.2
contourpy==1.3.1
cycler==0.12.1
debugpy==1.8.11
decorator==5.1.1
#deepspeed==0.14.4
defusedxml==0.7.1
dm-tree==0.1.8
docker-pycreds==0.4.0
entrypoints==0.4
exceptiongroup==1.2.2
executing==2.1.0
fastapi==0.115.7
fastjsonschema==2.21.1
ffmpy==0.5.0
filelock==3.17.0
fonttools==4.55.6
fqdn==1.5.1
fsspec==2024.12.0
gdown==5.2.0
gitdb==4.0.12
GitPython==3.1.44
gradio==5.13.2
gradio_client==1.6.0
gradio_molecule3d==0.0.6
h11==0.14.0
hjson==3.1.0
httpcore==1.0.7
httpx==0.28.1
huggingface-hub==0.27.1
icecream==2.1.4
idna==3.10
ihm==1.8
importlib_resources==6.5.2
ipdb==0.13.13
ipykernel==6.29.5
ipython==8.31.0
ipywidgets==8.1.5
isoduration==20.11.0
jedi==0.19.2
Jinja2==3.1.5
joblib==1.4.2
json5==0.10.0
jsonpointer==3.0.0
jsonschema==4.23.0
jsonschema-specifications==2024.10.1
jupyter_client==8.6.3
jupyter_core==5.7.2
jupyter-events==0.11.0
jupyter-lsp==2.2.5
jupyter_server==2.15.0
jupyter_server_terminals==0.5.3
jupyterlab==4.3.5
jupyterlab_pygments==0.3.0
jupyterlab_server==2.27.3
jupyterlab_widgets==3.0.13
kiwisolver==1.4.8
markdown-it-py==3.0.0
MarkupSafe==2.1.5
matplotlib==3.9.2
matplotlib-inline==0.1.7
mdurl==0.1.2
mistune==3.1.1
ml_collections==1.0.0
modelcif==0.7
mpmath==1.3.0
msgpack==1.1.0
nbclient==0.10.2
nbconvert==7.16.6
nbformat==5.10.4
nest_asyncio==1.6.0
networkx==3.4.2
nglview==3.1.4
ninja==1.11.1.3
notebook==7.3.2
notebook_shim==0.2.4
numpy==1.26.3
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-ml-py==12.570.86
nvidia-nccl-cu12==2.20.5
nvidia-nvjitlink-cu12==12.8.61
nvidia-nvtx-cu12==12.1.105
orjson==3.10.15
overrides==7.7.0
packaging==24.2
pandas==2.2.3
pandocfilters==1.5.1
parso==0.8.4
pexpect==4.9.0
pickleshare==0.7.5
pillow==10.4.0
pip==24.2
platformdirs==4.3.6
prometheus_client==0.21.1
prompt_toolkit==3.0.50
protenix==0.4.0
protobuf==3.20.2
psutil==5.9.0
ptyprocess==0.7.0
pure_eval==0.2.3
py-cpuinfo==9.0.0
py3Dmol==2.4.2
pycparser==2.22
pydantic==2.10.6
pydantic_core==2.27.2
pydub==0.25.1
Pygments==2.19.1
pyparsing==3.2.1
PySocks==1.7.1
python-dateutil==2.9.0.post0
python-json-logger==3.2.1
python-multipart==0.0.20
pytz==2024.2
PyYAML==6.0.2
pyzmq==26.2.0
rdkit==2024.9.4
referencing==0.36.2
regex==2024.11.6
requests==2.32.3
rfc3339-validator==0.1.4
rfc3986-validator==0.1.1
rich==13.9.4
rpds-py==0.22.3
ruff==0.9.3
safehttpx==0.1.6
safetensors==0.5.2
scikit-learn==1.6.1
scikit-learn-extra==0.3.0
scipy==1.15.1
semantic-version==2.10.0
Send2Trash==1.8.3
sentry-sdk==2.20.0
setproctitle==1.3.4
setuptools==75.1.0
shellingham==1.5.4
six==1.17.0
smmap==5.0.2
sniffio==1.3.1
soupsieve==2.6
stack_data==0.6.3
starlette==0.45.3
sympy==1.13.3
terminado==0.18.1
threadpoolctl==3.5.0
tinycss2==1.4.0
tokenizers==0.21.0
tomli==2.2.1
tomlkit==0.12.0
tornado==6.4.2
tqdm==4.67.1
traitlets==5.14.3
transformers==4.48.3
triton==2.3.1
typer==0.15.1
types-python-dateutil==2.9.0.20241206
typing_extensions==4.12.2
tzdata==2025.1
uri-template==1.3.0
urllib3==2.3.0
uvicorn==0.34.0
wandb==0.19.4
wcwidth==0.2.13
webcolors==24.11.1
webencodings==0.5.1
websocket-client==1.8.0
websockets==12.0
wheel==0.44.0
widgetsnbextension==4.0.13