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Dependencies
- biopython ==1.79
- cached-property ==1.5.2
- chemprop
- dask ==2022.2.0
- deepmol ==1.2.1
- easydict
- fair-esm ==1.0.3
- fairscale ==0.4.13
- lightning
- lxml ==6.0.0
- matplotlib
- modlamp ==4.3.0
- numpy
- openpyxl >=3.1.0
- optuna ==3.1.1
- pandas
- pydantic ==1.10.2
- pyyaml ==6.0
- requests ==2.28.1
- seaborn ==0.12.0
- smilespe ==0.0.3
- tensorboard >=2.20.0
- tqdm ==4.64.1
- transformers <5.0.0
- urllib3 ==1.26.12
- xgboost ==3.0.4
83 optional dependencies
- biopython[all]
- biopython[biopython]
- biopython[pathway-denovo-prediction]
- cached-property[cached-property]
- cached-property[pathway-denovo-prediction]
- cached-property[all]
- chemprop[all]
- chemprop[chemprop]
- chemprop[pathway-denovo-prediction]
- cobra[cobra]
- cobra[pathway-classification]
- cobra[all]
- dask[all]
- dask[dask]
- dask[pathway-denovo-prediction]
- deepmol[all]
- deepmol[deepmol-preprocessing]
- deepmol[pathway-classification]
- deepmol[pathway-denovo-prediction]
- deepmol[deepmol-all]
- easydict[all]
- easydict[pathway-denovo-prediction]
- easydict[easydict]
- fair-esm[fair-esm]
- fair-esm[pathway-denovo-prediction]
- fair-esm[all]
- fairscale[pathway-denovo-prediction]
- fairscale[fairscale]
- fairscale[all]
- lightning[pathway-denovo-prediction]
- lightning[all]
- lightning[lightning]
- lxml[pathway-denovo-prediction]
- lxml[lxml]
- lxml[all]
- matplotlib[pathway-denovo-prediction]
- matplotlib[matplotlib]
- matplotlib[all]
- modlamp[pathway-denovo-prediction]
- modlamp[all]
- modlamp[modlamp]
- openpyxl[all]
- openpyxl[openpyxl]
- openpyxl[pathway-denovo-prediction]
- optuna[pathway-denovo-prediction]
- optuna[all]
- optuna[optuna]
- pandas[pandas]
- pandas[pathway-denovo-prediction]
- pandas[all]
- pydantic[pathway-denovo-prediction]
- pydantic[pydantic]
- pydantic[all]
- pyyaml[all]
- pyyaml[pyyaml]
- pyyaml[pathway-denovo-prediction]
- requests[requests]
- requests[all]
- requests[pathway-denovo-prediction]
- seaborn[seaborn]
- seaborn[all]
- seaborn[pathway-denovo-prediction]
- smilespe[smilespe]
- smilespe[pathway-denovo-prediction]
- smilespe[all]
- tensorboard[pathway-denovo-prediction]
- tensorboard[tensorboard]
- tensorboard[all]
- torch[torch]
- torch[pathway-denovo-prediction]
- torch[all]
- tqdm[pathway-denovo-prediction]
- tqdm[tqdm]
- tqdm[all]
- transformers[all]
- transformers[pathway-denovo-prediction]
- transformers[transformers]
- urllib3[urllib3]
- urllib3[pathway-denovo-prediction]
- urllib3[all]
- xgboost[all]
- xgboost[pathway-denovo-prediction]
- xgboost[xgboost]