Pinned Repositories
AIDD_RDKit_Tutorial_2021
Materials from the Intro to the RDKit tutorial at AIDD 2021
aisem23
Repository for the SCS Spring School on Digital Chemistry
rdkit
The official sources for the RDKit library
rdkit-blog-fastpages
rdkit-minimallib-build
rdkit_blog
RDKit related blog posts, notebooks, and data.
RSC_OpenScience_Standardization_202104
Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
yaehmop
Yet Another extended Hueckel Molecular Orbital Package
greglandrum's Repositories
greglandrum/chembl_beaker
RDKit and OSRA in the Bottle on Tornado
greglandrum/chembl_clippy
A cross-platform chemical structure rendering desktop app.
greglandrum/chemicalite
A cheminformatic SQLite database extension.