RDKit Tools for the IPython Notebook

Molecular standardisation tool

scikit-learn classes for molecular vectorization using RDKit

Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computational-toxicology-and-exposure-apis

An open library to work with pharmacophores.

Practical Cheminformatics Tutorials

Protein Structure Analysis

Open source code for AlphaFold 2.

This repo is for linkedin learning course: Python Essential Training (UPDATE FY24 Q4)

A cheat sheet for streamlit

Python implementation of Multi-Descriptor Read Across.

PyGWalker: Turn your pandas dataframe into an interactive UI for visual analysis

Universal cheminformatics toolkit, utilities and database search tools

3D ligand-based pharmacophore modeling

3D pharmacophore signatures and fingerprints

A Python package for processing molecules with RDKit in scikit-learn

freeCodeCamp.org's open-source codebase and curriculum. Learn to code for free.

Molecular Processing Made Easy.