rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
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Updated
Mar 11, 2023 - Jupyter Notebook
rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics and drug discovery projects
Add a description, image, and links to the drug-design topic page so that developers can more easily learn about it.
To associate your repository with the drug-design topic, visit your repo's landing page and select "manage topics."