aiobotocore==2.11.2
aiohttp==3.9.3
aioitertools==0.11.0
aiosignal==1.3.1
annotated-types==0.6.0
asttokens==2.4.1
async-timeout==4.0.3
attrs==21.4.0
backcall==0.2.0
blinker==1.7.0
botocore==1.34.34
cachetools==5.3.2
certifi==2024.2.2
charset-normalizer==3.3.2
chembl-webresource-client==0.10.8
click==8.1.7
comm==0.2.2
contourpy==1.2.0
cycler==0.12.1
datamol==0.11.2
debugpy==1.8.6
decorator==5.1.1
deepchem==2.7.1
easydict==1.12
executing==2.1.0
filelock==3.13.1
Flask==3.0.2
fonttools==4.49.0
frozenlist==1.4.1
fsspec==2024.2.0
gcsfs==2024.2.0
google-api-core==2.17.1
google-auth==2.28.1
google-auth-oauthlib==1.2.0
google-cloud-core==2.4.1
google-cloud-storage==2.14.0
google-crc32c==1.5.0
google-resumable-media==2.7.0
googleapis-common-protos==1.62.0
h5py==3.10.0
huggingface-hub==0.16.4
idna==3.6
importlib-metadata==7.0.1
importlib_resources==6.1.2
ipykernel==6.23.3
ipython==8.12.3
ipython-genutils==0.2.0
itsdangerous==2.1.2
jedi==0.19.1
Jinja2==3.1.3
jmespath==1.0.1
joblib==1.3.2
jupyter-client==6.1.12
jupyter_core==4.12.0
kiwisolver==1.4.5
loguru==0.7.2
MarkupSafe==2.1.5
matplotlib==3.8.3
matplotlib-inline==0.1.6
molfeat==0.9.2
mordredcommunity==2.0.4
mpmath==1.3.0
multidict==6.0.5
nest-asyncio==1.6.0
networkx==3.2.1
numpy==1.23.5
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-nccl-cu12==2.19.3
nvidia-nvjitlink-cu12==12.3.101
nvidia-nvtx-cu12==12.1.105
oauthlib==3.2.2
packaging==23.2
pandas==1.1.5
parso==0.8.3
pexpect==4.8.0
pickleshare==0.7.5
pillow==10.2.0
platformdirs==4.2.0
pmapper==1.0.4
prompt-toolkit==3.0.43
protobuf==4.25.3
psutil==6.0.0
ptyprocess==0.7.0
PubChemPy==1.0.4
pure_eval==0.2.3
pyarrow==15.0.0
pyasn1==0.5.1
pyasn1-modules==0.3.0
pydantic==2.6.2
pydantic_core==2.16.3
Pygments==2.17.2
pyparsing==3.1.1
python-dateutil==2.8.2
python-dotenv==1.0.0
pytz==2022.7.1
PyYAML==6.0.1
pyzmq==23.2.1
rdkit==2023.3.3
regex==2023.12.25
requests==2.31.0
requests-cache==0.7.5
requests-oauthlib==1.3.1
rsa==4.9
s3fs==2024.2.0
safetensors==0.4.2
scikit-learn==1.4.1.post1
scipy==1.8.1
selfies==2.1.1
simplegeneric==0.8.1
six==1.16.0
stack-data==0.6.3
sympy==1.12
threadpoolctl==3.3.0
tokenizers==0.13.3
torch==2.2.1
tornado==6.3.3
tqdm==4.66.1
traitlets==5.9.0
transformers==4.32.0
triton==2.2.0
typing_extensions==4.10.0
url-normalize==1.4.3
urllib3==1.26.18
wcwidth==0.2.13
Werkzeug==3.0.1
wrapt==1.16.0
yarl==1.9.4
zipp==3.17.0
