greglandrum

rdkit_blog

RDKit related blog posts, notebooks, and data.

aisem23

Repository for the SCS Spring School on Digital Chemistry

rdkit-blog-fastpages

yaehmop

Yet Another extended Hueckel Molecular Orbital Package

AIDD_RDKit_Tutorial_2021

Materials from the Intro to the RDKit tutorial at AIDD 2021

rdkit

The official sources for the RDKit library

rdkit-minimallib-build

rdkit-blog

RDKit blog

intake-rdkit

RDKit-based chemistry support for intake

TeachOpenCADD

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

benchmarking_platform

GHOST

python_knime_nodes

temporary, for testing and development

rdkit-lambdas

UGM_2023

Materials from the 2023 RDKit UGM

AICHEM_2024

material for AICHEM/AIDD 2024

AutomatedSeriesClassification

ChEMBL_Structure_Pipeline

ChEMBL database structure pipelines

coordgenlibs

Schrodinger-developed 2D Coordinate Generation

customETKDG

gps_scrape

Various small tools for dealing with our gpx files

lightweight-registration

maeparser

maestro file parser

mdfptools

rdk_smiles_view

Electron app for viewing molecules

rdkit-feedstock

A conda-smithy repository for rdkit.

rdkit-renderer

rdkit-scripts

scripts I use for rdkit maintenance

shape-it

Updated version of Silicos-it's shape-based alignment tool

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks