antlr4-python3-runtime==4.9.3
hydra-core==1.3.2
omegaconf==2.3.0
seaborn==0.13.2
deprecated==1.2.18
gitpython==3.1.44
markupsafe==2.1.5
pysocks==1.7.1
pyyaml==6.0.2
send2trash==1.8.3
absl-py==2.1.0
aiohappyeyeballs==2.6.1
aiohttp==3.13.2
aiosignal==1.4.0
annotated-types==0.7.0
anyio==4.11.0
argon2-cffi==25.1.0
argon2-cffi-bindings==25.1.0
arrow==1.4.0
asttokens==3.0.0
async-lru==2.0.5
async-timeout==5.0.1
attrs==25.4.0
babel==2.17.0
beautifulsoup4==4.14.2
biopython==1.83
biotite==1.0.1
biotraj==1.2.2
bleach==6.2.0
brotli==1.2.0
certifi==2025.1.31
cffi==2.0.0
charset-normalizer==3.4.1
click==8.1.8
colorama==0.4.6
colorlog==6.10.1
comm==0.2.2
contourpy==1.3.1
crcmod==1.7
cycler==0.12.1
debugpy==1.8.17
decorator==5.2.1
deepspeed==0.17.4
defusedxml==0.7.1
dill==0.4.0
dm-tree==0.1.6
docker-pycreds==0.4.0
einops==0.8.1
exceptiongroup==1.2.2
executing==2.2.0
fair-esm==2.0.0
fastjsonschema==2.21.2
filelock==3.13.1
fonttools==4.56.0
fqdn==1.5.1
frozenlist==1.8.0
fsspec==2024.6.1
gemmi==0.6.5
gitdb==4.0.12
h11==0.16.0
h2==4.3.0
hatch-cython==0.5.1
hf-xet==1.2.0
hjson==3.1.0
hpack==4.1.0
httpcore==1.0.9
httpx==0.28.1
huggingface-hub==0.36.0
hydra-colorlog==1.2.0
hyperframe==6.1.0
icecream==2.1.4
idna==3.10
ihm==2.2
ipdb==0.13.13
ipykernel==7.0.1
ipython==8.33.0
ipywidgets==8.1.5
isoduration==20.11.0
jedi==0.19.2
jinja2==3.1.4
joblib==1.4.2
json5==0.12.1
jsonpointer==3.0.0
jsonschema==4.25.1
jsonschema-specifications==2025.9.1
jupyter==1.1.1
jupyter-client==8.6.3
jupyter-console==6.6.3
jupyter-core==5.9.1
jupyter-events==0.12.0
jupyter-lsp==2.3.0
jupyter-server==2.17.0
jupyter-server-terminals==0.5.3
jupyterlab==4.4.9
jupyterlab-pygments==0.3.0
jupyterlab-server==2.27.3
jupyterlab-widgets==3.0.13
kiwisolver==1.4.8
lark==1.3.0
lightning-utilities==0.15.2
markdown-it-py==4.0.0
matplotlib==3.9.2
matplotlib-inline==0.1.7
mdurl==0.1.2
mistune==3.1.4
ml-collections==1.0.0
modelcif==0.7
mpmath==1.3.0
msgpack==1.1.0
multidict==6.7.0
nbclient==0.10.2
nbconvert==7.16.6
nbformat==5.10.4
nest-asyncio==1.6.0
networkx==3.3
ninja==1.11.1.3
notebook==7.4.7
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==12.1.105
nvidia-nvtx-cu12==12.1.105
nvitop==1.4.2
optree==0.14.1
overrides==7.7.0
packaging==24.2
pandas==2.2.3
pandocfilters==1.5.1
parso==0.8.4
pdbeccdutils==0.8.5
pexpect==4.9.0
pillow==11.0.0
pip==25.0.1
platformdirs==4.3.6
prometheus-client==0.23.1
prompt-toolkit==3.0.50
propcache==0.4.1
protenix==0.5.5
protobuf==3.20.2
psutil==7.0.0
ptyprocess==0.7.0
pure-eval==0.2.3
py3dmol==2.4.2
py-cpuinfo==9.0.0
pycparser==2.22
pydantic==2.10.6
pydantic-core==2.27.2
pyg-lib
pygments==2.19.1
pyparsing==3.2.1
python-dateutil==2.9.0.post0
python-json-logger==4.0.0
pytorch-lightning==1.9.0
pytz==2025.1
pyzmq==27.1.0
rdkit==2023.3.1
referencing==0.37.0
regex==2025.11.3
requests==2.32.3
rfc3339-validator==0.1.4
rfc3986-validator==0.1.1
rfc3987-syntax==1.1.0
rich==14.2.0
rpds-py==0.27.1
safetensors==0.7.0
scikit-learn==1.7.2
scikit-learn-extra==0.3.0
scipy==1.15.2
sentry-sdk==2.22.0
setproctitle==1.3.5
setuptools==75.8.2
six==1.17.0
smmap==5.0.2
sniffio==1.3.1
soupsieve==2.8
stack-data==0.6.3
sympy==1.13.1
terminado==0.18.1
threadpoolctl==3.5.0
tinycss2==1.4.0
tokenizers==0.21.4
tomli==2.2.1
torch==2.3.1
torchvision==0.18.1
torchaudio==2.3.1
torch-cluster
torch-geometric==2.7.0
torch-scatter
torch-sparse
torch-spline-conv
torcheval==0.0.7
torchmetrics==1.8.2
tornado==6.5.2
tos==2.8.1
tqdm==4.67.1
traitlets==5.14.3
transformers==4.55.2
triton==2.3.1
typing-extensions==4.12.2
tzdata==2025.1
uri-template==1.3.0
urllib3==2.3.0
wandb==0.19.8
wcwidth==0.2.13
webcolors==24.11.1
webencodings==0.5.1
websocket-client==1.9.0
wheel==0.45.1
widgetsnbextension==4.0.13
wrapt==1.17.2
xxhash==3.6.0
yarl==1.22.0
zstandard==0.25.0
autocommand==2.2.2
backports.tarfile==1.2.0
importlib-metadata==8.0.0
inflect==7.3.1
jaraco.collections==5.1.0
jaraco.context==5.3.0
jaraco.functools==4.0.1
jaraco.text==3.12.1
more-itertools==10.3.0
typeguard==4.3.0
zipp==3.19.2