aiobotocore==2.4.2
aiohttp==3.8.4
aioitertools==0.11.0
aiosignal==1.3.1
anyio==3.6.2
appnope==0.1.3
argon2-cffi==21.3.0
argon2-cffi-bindings==21.2.0
arrow==1.2.3
asttokens==2.2.1
async-timeout==4.0.2
attrs==22.2.0
backcall==0.2.0
beautifulsoup4==4.11.2
biopython==1.81
bleach==6.0.0
botocore==1.27.59
cachetools==5.3.0
certifi==2022.12.7
cffi==1.15.1
charset-normalizer==3.1.0
comm==0.1.2
contourpy==1.0.7
cycler==0.11.0
Cython==0.29.34
datamol==0.9.2
debugpy==1.6.6
decorator==5.1.1
defusedxml==0.7.1
easydict==1.10
executing==1.2.0
fastjsonschema==2.16.3
filelock==3.10.7
fonttools==4.39.2
fqdn==1.5.1
frozenlist==1.3.3
fsspec==2023.3.0
future==0.18.3
gcsfs==2023.3.0
google-api-core==2.11.0
google-auth==2.17.1
google-auth-oauthlib==1.0.0
google-cloud-core==2.3.2
google-cloud-storage==2.8.0
google-crc32c==1.5.0
google-resumable-media==2.4.1
googleapis-common-protos==1.59.0
GraKeL==0.1.9
h5py==3.8.0
idna==3.4
importlib-metadata==6.0.0
importlib-resources==5.12.0
ipykernel==6.21.3
ipython==8.11.0
ipython-genutils==0.2.0
ipywidgets==8.0.4
isoduration==20.11.0
jedi==0.18.2
Jinja2==3.1.2
jmespath==1.0.1
joblib==1.2.0
jsonpointer==2.3
jsonschema==4.17.3
jupyter==1.0.0
jupyter-console==6.6.3
jupyter-events==0.6.3
jupyter_client==8.0.3
jupyter_core==5.3.0
jupyter_server==2.5.0
jupyter_server_terminals==0.4.4
jupyterlab-pygments==0.2.2
jupyterlab-widgets==3.0.5
kiwisolver==1.4.4
lmdb==1.4.1
loguru==0.6.0
MarkupSafe==2.1.2
matplotlib==3.7.1
matplotlib-inline==0.1.6
mistune==2.0.5
molfeat==0.8.3
mordred==1.2.0
multidict==6.0.4
nbclassic==0.5.3
nbclient==0.7.2
nbconvert==7.2.10
nbformat==5.7.3
nest-asyncio==1.5.6
networkx==2.8.8
notebook==6.5.3
notebook_shim==0.2.2
numpy==1.24.2
oauthlib==3.2.2
orderedset==2.0.3
packaging==23.0
pandas==1.5.3
pandocfilters==1.5.0
parso==0.8.3
pbr==5.11.1
pexpect==4.8.0
pickleshare==0.7.5
Pillow==9.4.0
platformdirs==3.1.1
pmapper==1.0.3
prometheus-client==0.16.0
prompt-toolkit==3.0.38
protobuf==4.22.1
psutil==5.9.4
ptyprocess==0.7.0
pure-eval==0.2.2
pyarrow==11.0.0
pyasn1==0.4.8
pyasn1-modules==0.2.8
pycparser==2.21
pydantic==1.10.7
Pygments==2.14.0
pyntcloud==0.3.1
pyparsing==3.0.9
pyrsistent==0.19.3
pysmiles==1.0.2
python-dateutil==2.8.2
python-json-logger==2.0.7
pytz==2022.7.1
PyYAML==6.0
pyzmq==25.0.1
qtconsole==5.4.1
QtPy==2.3.0
rdkit-pypi==2022.9.1
requests==2.28.2
requests-oauthlib==1.3.1
rfc3339-validator==0.1.4
rfc3986-validator==0.1.1
rsa==4.9
s3fs==2023.3.0
scikit-learn==1.2.2
scipy==1.10.1
seaborn==0.12.2
selfies==2.1.1
Send2Trash==1.8.0
six==1.16.0
sniffio==1.3.0
soupsieve==2.4
stack-data==0.6.2
tabulate==0.9.0
terminado==0.17.1
threadpoolctl==3.1.0
tinycss2==1.2.1
torch==1.10.1
torch-cluster==1.6.1
torch-geometric==2.2.0
torch-scatter==2.1.1
torch-sparse==0.6.16
torchdiffeq==0.2.3
tornado==6.2
tqdm==4.65.0
traitlets==5.9.0
typing_extensions==4.5.0
uri-template==1.2.0
urllib3==1.26.15
wcwidth==0.2.6
webcolors==1.12
webencodings==0.5.1
websocket-client==1.5.1
widgetsnbextension==4.0.5
wrapt==1.15.0
yarl==1.8.2
zipp==3.15.0
