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Dependencies
- cython ==0.29.23
- dgl ==0.5.2
- dgllife ==0.2.6
- h5py ==2.10.0
- html5lib ==1.1
- ipykernel ==5.3.4
- ipython ==7.22.0
- ipython-genutils ==0.2.0
- ipywidgets ==7.6.3
- isort ==5.8.0
- jdcal ==1.4.1
- jedi ==0.17.2
- jeepney ==0.6.0
- jinja2 ==2.11.3
- joblib ==1.4.2
- json5 ==0.9.5
- jsonschema ==3.2.0
- jupyter ==1.0.0
- jupyter-client ==6.1.12
- jupyter-console ==6.4.0
- jupyter-core ==4.7.1
- jupyter-packaging ==0.7.12
- jupyter-server ==1.4.1
- localmapper ==0.1.4
- lxml ==4.6.3
- markupsafe ==1.1.1
- matplotlib ==3.3.4
- networkx ==2.5
- numba ==0.53.1
- numexpr ==2.7.3
- numpy ==1.23.5
- numpydoc ==1.1.0
- opennmt-py ==1.2.0
- openpyxl ==3.0.7
- pandas ==1.2.4
- pillow ==8.2.0
- pip ==24.2
- pyg-lib ==0.4.0+pt112cu113
- python-box ==7.2.0
- rdkit ==2024.3.2
- regex ==2021.4.4
- requests ==2.25.1
- rxnmapper ==0.4.0
- scikit-image ==0.18.1
- scikit-learn ==1.3.2
- scipy ==1.10.1
- seaborn ==0.11.1
- setuptools ==69.0.0
- six ==1.15.0
- tensorboard ==2.14.0
- torch ==1.12.1+cu113
- torch-cluster ==1.6.0+pt112cu113
- torch-geometric ==2.3.1
- torch-scatter ==2.1.0+pt112cu113
- torch-sparse ==0.6.16+pt112cu113
- torch-spline-conv ==1.2.1+pt112cu113
- torchsummary ==1.5.1
- torchtext ==0.4.0
- tqdm ==4.59.0
- wheel ==0.36.2
- xlrd ==2.0.1
- xlsxwriter ==1.3.8
- xlwt ==1.3.0
- xmltodict ==0.12.0
- yapf ==0.31.0
- zc-lockfile ==3.0.post1
- zict ==2.0.0
- zipp ==3.4.1