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Dependencies
- biopython
- glob2
- jupyter
- matplotlib
- numpy <2
- openpyxl
- pandas
- pillow
- pyrosetta-installer
- pyyaml
- rdkit
- requests
- scikit-learn
- seaborn
- shortuuid
- xchem-fragmenstein >=1.0.0
- xlrd
2 optional dependencies
- rdkit[hippo]
- xchem-hippo[hippo]