rdkit topic

List rdkit repositories

ScaffoldGraph

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ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

oddt

398
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115
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Open Drug Discovery Toolkit

rdkit

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The official sources for the RDKit library

Jupyter_Dock

246
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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.

mols2grid

206
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24
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Interactive molecule viewer for 2D structures

molplotly

231
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24
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add-on to plotly which show molecule images on mouseover!

ProLIF

330
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64
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Interaction Fingerprints for protein-ligand complexes and more

MolVS

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Molecule Validation and Standardization