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RDKit related blog posts, notebooks, and data.
Yet Another extended Hueckel Molecular Orbital Package
Forked from madgpap/chembl_clippy
A cross-platform chemical structure rendering desktop app.
Forked from rvianello/chemicalite
A cheminformatic SQLite database extension.
Forked from chembl/chembl_beaker
RDKit and OSRA in the Bottle on Tornado
Forked from manuelschwarze/org.rdkit.lucene
Lucene Chemical Index based on RDKit functionality.
917 contributions in the last year
- greglandrum/rdkit-tutorials Jupyter Notebook
This fixes a problem with versions of pandas that have "odd" version numbers like this (which is what's currently deployed via conda):
In : pd._…
Reported by Chris Earnshaw here: http://email@example.com/msg06433.html This is a really stupid one, but the…