requirements.txt

absl-py==1.2.0
backcall==0.2.0
cachetools==4.2.4
certifi==2022.9.24
charset-normalizer==2.0.12
cycler==0.11.0
dataclasses==0.8
decorator==4.4.2
entrypoints==0.4
gensim==4.2.0
google-auth==2.12.0
google-auth-oauthlib==0.4.6
googledrivedownloader==0.4
grpcio==1.48.2
idna==3.4
importlib-metadata==4.8.3
importlib-resources==5.4.0
ipykernel==5.5.6
ipython==7.16.3
ipython-genutils==0.2.0
isodate==0.6.1
jedi==0.17.2
Jinja2==3.0.3
joblib==1.1.0
jupyter-client==7.1.2
jupyter-core==4.9.2
kiwisolver==1.3.1
Markdown==3.3.7
MarkupSafe==2.0.1
matplotlib==3.3.4
mol2vec @ git+https://github.com/samoturk/mol2vec@850d944d5f48a58e26ed0264332b5741f72555aa
nest-asyncio==1.5.6
networkx==2.5.1
numpy==1.19.5
oauthlib==3.2.1
pandas==1.1.5
parso==0.7.1
pexpect==4.8.0
pickleshare==0.7.5
Pillow==8.4.0
prompt-toolkit==3.0.31
protobuf==3.19.6
ptyprocess==0.7.0
pyasn1==0.4.8
pyasn1-modules==0.2.8
Pygments==2.13.0
pyparsing==3.0.9
python-dateutil==2.8.2
pytz==2022.4
PyYAML==6.0
pyzmq==24.0.1
rdflib==5.0.0
rdkit-pypi==2021.9.4
requests==2.27.1
requests-oauthlib==1.3.1
rsa==4.9
scikit-learn==0.24.2
scipy==1.5.4
seaborn==0.11.2
six==1.16.0
smart-open==6.2.0
tensorboard==2.10.1
tensorboard-data-server==0.6.1
tensorboard-plugin-wit==1.8.1
tensorboardX==2.5.1
texttable==1.6.4
threadpoolctl==3.1.0
torch @ file:///hy-nas/torch-1.10.2%2Bcu113-cp36-cp36m-linux_x86_64.whl
torch-cluster @ file:///hy-nas/torch_cluster-1.5.9-cp36-cp36m-linux_x86_64.whl
torch-geometric==2.0.3
torch-scatter @ file:///hy-nas/torch_scatter-2.0.9-cp36-cp36m-linux_x86_64.whl
torch-sparse @ file:///hy-nas/torch_sparse-0.6.12-cp36-cp36m-linux_x86_64.whl
torch-spline-conv @ file:///hy-nas/torch_spline_conv-1.2.1-cp36-cp36m-linux_x86_64.whl
torchvision @ file:///hy-nas/torchvision-0.11.3%2Bcu113-cp36-cp36m-linux_x86_64.whl
tornado==6.1
tqdm==4.64.1
traitlets==4.3.3
typing_extensions==4.1.1
urllib3==1.26.12
wcwidth==0.2.5
Werkzeug==2.0.3
yacs==0.1.8
zipp==3.6.0