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Jupyter notebooks for ligand optimization studies involving active learning

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Name		Name	Last commit message	Last commit date
Latest commit History 4 Commits
DockingMLEnsemble.ipynb		DockingMLEnsemble.ipynb
LICENSE		LICENSE
MultiobjectiveAL.ipynb		MultiobjectiveAL.ipynb
README.md		README.md
environment.yml		environment.yml
pde10a_dockingScores.csv		pde10a_dockingScores.csv

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active-learning-notebooks

Jupyter notebooks for ligand optimization studies involving active learning

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Jupyter notebooks for ligand optimization studies involving active learning

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