absl-py==2.4.0
aiohappyeyeballs==2.6.1
aiohttp==3.13.3
aiosignal==1.4.0
annotated-types==0.7.0
antlr4-python3-runtime==4.9.3
astunparse==1.6.3
attrs==25.4.0
AutoDockTools_py3 @ git+https://github.com/Valdes-Tresanco-MS/AutoDockTools_py3@a62a5d98116f1590183b58a9ad732b997cf2579c
bel-resources==0.0.3
biopython==1.84
bioregistry==0.13.19
boltz==2.2.1
certifi==2026.1.4
cffi==2.0.0
charset-normalizer==3.4.4
chembl-structure-pipeline==1.2.2
ChemSpiPy==2.0.0
click==8.1.7
click-plugins==1.1.1.2
coverage==7.13.2
cryptography==46.0.4
cuda-bindings==12.9.4
cuda-pathfinder==1.3.3
cuequivariance==0.8.1
cuequivariance-ops-cu12==0.8.1
cuequivariance-ops-torch-cu12==0.8.1
cuequivariance-torch==0.8.1
curies==0.12.9
dm-tree==0.1.8
dnspython==2.8.0
docker-pycreds==0.4.0
-e git+https://github.com/abdollahegazy/VariDock.git@173eccb186c95022922ea766095d2736b97ad303#egg=docking
einops==0.8.0
einx==0.3.0
email-validator==2.3.0
fairscale==0.4.13
filelock==3.20.3
flatbuffers==25.12.19
frozendict==2.4.7
frozenlist==1.8.0
fsspec==2026.1.0
gast==0.4.0
gemmi==0.6.5
gitdb==4.0.12
GitPython==3.1.46
google-auth==2.48.0
google-auth-oauthlib==1.0.0
google-pasta==0.2.0
greenlet==3.3.1
grpcio==1.78.0
h5py==3.15.1
humanize==4.15.0
hydra-core==1.3.2
idna==3.11
ihm==2.9
iniconfig==2.3.0
jax==0.4.30
jaxlib==0.4.30
Jinja2==3.1.6
joblib==1.5.3
jsonschema==4.26.0
jsonschema-specifications==2025.9.1
keras==2.12.0
libclang==18.1.1
lightning-utilities==0.15.2
llvmlite==0.44.0
Markdown==3.10.1
markdown-it-py==4.0.0
MarkupSafe==3.0.3
mashumaro==3.14
mdurl==0.1.2
meeko==0.7.1
ml_dtypes==0.5.4
modelcif==1.2
mol-kit==0.0.1
more-click==0.1.3
more-itertools==10.8.0
mpmath==1.3.0
msgpack==1.1.2
multidict==6.7.1
multisplitby==0.0.1
namex==0.1.0
networkx==3.6.1
numba==0.61.0
numpy==1.23.5
nvidia-cublas-cu12==12.8.4.1
nvidia-cuda-cupti-cu12==12.8.90
nvidia-cuda-nvrtc-cu12==12.8.93
nvidia-cuda-runtime-cu12==12.8.90
nvidia-cudnn-cu12==9.10.2.21
nvidia-cufft-cu12==11.3.3.83
nvidia-cufile-cu12==1.13.1.3
nvidia-curand-cu12==10.3.9.90
nvidia-cusolver-cu12==11.7.3.90
nvidia-cusparse-cu12==12.5.8.93
nvidia-cusparselt-cu12==0.7.1
nvidia-ml-py==13.590.48
nvidia-nccl-cu12==2.27.5
nvidia-nvjitlink-cu12==12.8.93
nvidia-nvshmem-cu12==3.4.5
nvidia-nvtx-cu12==12.8.90
oauthlib==3.3.1
omegaconf==2.3.0
openbabel==3.1.1.1
opt_einsum==3.4.0
optree==0.18.0
packaging @ file:///home/task_176104885106445/conda-bld/packaging_1761049078006/work
pandas==3.0.0
pillow==12.1.0
platformdirs==4.5.1
pluggy==1.6.0
propcache==0.4.1
protobuf==4.25.8
psutil==7.2.2
psycopg2-binary==2.9.11
pyaml==25.7.0
pyasn1==0.6.2
pyasn1_modules==0.4.2
pycparser==3.0
pydantic==2.12.5
pydantic_core==2.41.5
Pygments==2.19.2
pyparsing==3.3.2
pystow==0.7.23
pytest==9.0.2
python-dateutil==2.9.0.post0
python-dotenv==1.2.1
pytorch-lightning==2.5.0
PyYAML==6.0.2
ratelimit==2.2.1
rdkit==2025.9.4
referencing==0.37.0
requests==2.32.3
requests-file==3.0.1
requests-oauthlib==2.0.0
rich==14.3.2
rpds-py==0.30.0
rsa==4.9.1
scikit-learn==1.6.1
scipy==1.13.1
sentry-sdk==2.52.0
setproctitle==1.3.7
six==1.17.0
smmap==5.0.2
SQLAlchemy==2.0.46
sympy==1.14.0
tabulate==0.9.0
tensorboard==2.12.3
tensorboard-data-server==0.7.2
tensorflow==2.12.0
tensorflow-estimator==2.12.0
tensorflow-io-gcs-filesystem==0.37.1
termcolor==3.3.0
tf-slim==1.1.0
tf_keras==2.20.1
threadpoolctl==3.6.0
torch==2.10.0
torchmetrics==1.8.2
tqdm==4.67.3
triton==3.6.0
types-requests==2.32.4.20260107
typing-inspection==0.4.2
typing_extensions==4.15.0
urllib3==2.6.3
vina==1.2.7
wandb==0.18.7
Werkzeug==3.1.5
wrapt==1.14.2
yarl==1.22.0
