Skip to content

Navigation Menu

Appearance settings

View all features
- BY COMPANY SIZE
  Enterprises
  Small and medium teams
  Startups
  Nonprofits
- BY USE CASE
  App Modernization
  DevSecOps
  DevOps
  CI/CD
  View all use cases
- BY INDUSTRY
  Healthcare
  Financial services
  Manufacturing
  Government
  View all industries
View all solutions
- EXPLORE BY TOPIC
  AI
  Software Development
  DevOps
  Security
  View all topics
- EXPLORE BY TYPE
  Customer stories
  Events & webinars
  Ebooks & reports
  Business insights
  GitHub Skills
- SUPPORT & SERVICES
  Documentation
  Customer support
  Community forum
  Trust center
  Partners
View all resources
- COMMUNITY
  GitHub SponsorsFund open source developers
- PROGRAMS
  Security Lab
  Maintainer Community
  GitHub Stars
  Archive Program
- REPOSITORIES
  Topics
  Trending
  Collections
- ENTERPRISE SOLUTIONS
  Enterprise platformAI-powered developer platform
- AVAILABLE ADD-ONS
  GitHub Advanced SecurityEnterprise-grade security features
  Copilot for BusinessEnterprise-grade AI features
  Premium SupportEnterprise-grade 24/7 support
Pricing

Appearance settings

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

Uh oh!

There was an error while loading. Please reload this page.

Uh oh!

There was an error while loading. Please reload this page.

RDKit

541 followers
https://www.rdkit.org

Overview
Repositories
Projects
Packages
People

More

Overview
Repositories
Projects
Packages
People

Pinned Loading

rdkit rdkit Public

The official sources for the RDKit library

HTML 3.6k 1.1k

Repositories

Loading

Type

Select type

All Public Sources Forks Archived Mirrors Templates

Language

Select language

All C C# C++ Dockerfile HTML Java JavaScript Jupyter Notebook Python Ruby

Sort

Select order

Last updated Name Stars

Showing 10 of 43 repositories

rdkit Public
The official sources for the RDKit library

rdkit/rdkit's past year of commit activity

HTML 3,581 BSD-3-Clause 1,056 26 37 Updated Sep 9, 2026
UGM_2026 Public
Repository for the 2026 RDKit UGM

rdkit/UGM_2026's past year of commit activity

14 0 2 0 Updated Sep 9, 2026
knime-python-rdkit Public Forked from marc-lehner/knime-python-extension-template

rdkit/knime-python-rdkit's past year of commit activity

Python 0 Apache-2.0 3 0 1 Updated Sep 7, 2026
molecular_templates Public

rdkit/molecular_templates's past year of commit activity

C++ 2 BSD-2-Clause 5 0 0 Updated Aug 13, 2026
rdkit-js Public
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

rdkit/rdkit-js's past year of commit activity

Dockerfile 247 BSD-3-Clause 47 27 5 Updated Aug 3, 2026
mmpdb Public
A package to identify matched molecular pairs and use them to predict property changes.

rdkit/mmpdb's past year of commit activity

Python 300 68 18 1 Updated Jun 3, 2026
django-rdkit Public

rdkit/django-rdkit's past year of commit activity

Python 55 BSD-3-Clause 29 8 1 Updated Dec 12, 2025
knime-rdkit Public
The RDKit nodes for the KNIME Analytics Platform

rdkit/knime-rdkit's past year of commit activity

Java 27 19 24 1 Updated Nov 6, 2025
UGM_2025 Public
2025 RDKit UGM

rdkit/UGM_2025's past year of commit activity

Jupyter Notebook 30 2 0 0 Updated Oct 27, 2025
knime-lwreg Public
KNIME nodes for working with lwreg

rdkit/knime-lwreg's past year of commit activity

Python 4 MIT 6 0 0 Updated Oct 24, 2025

View all repositories

People

Top languages

Jupyter Notebook Python HTML C++ Java

Most used topics

cheminformatics rdkit

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.