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The official sources for the RDKit library
Created
2013-05-12
7,745 commits to master branch, last one 21 hours ago
Molecular Processing Made Easy.
Created
2021-02-23
1,453 commits to main branch, last one 3 months ago
Open Drug Discovery Toolkit
Created
2014-08-20
765 commits to master branch, last one 2 years ago
Interaction Fingerprints for protein-ligand complexes and more
Created
2020-01-08
160 commits to master branch, last one 2 months ago
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
Created
2021-09-10
29 commits to main branch, last one 2 years ago
add-on to plotly which show molecule images on mouseover!
Created
2022-02-11
128 commits to main branch, last one about a month ago
Python for chemoinformatics
Created
2018-12-12
301 commits to master branch, last one 2 years ago
Interactive molecule viewer for 2D structures
Created
2021-03-17
262 commits to master branch, last one 9 months ago
Plausibility checks for generated molecule poses.
Created
2023-07-13
53 commits to main branch, last one 9 days ago
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
Created
2019-12-10
280 commits to main branch, last one 2 years ago
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Created
2021-05-18
1,021 commits to master branch, last one 6 months ago
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Created
2022-03-17
108 commits to develop branch, last one 5 months ago
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
Created
2021-03-27
260 commits to main branch, last one about a month ago
psi4+RDKit
Created
2018-09-15
15 commits to master branch, last one 3 years ago
Showcase of Redis integration with Python FastAPI framework supported by Pydantic as API backend for RDKit: Open-Source Cheminformatics Software
Created
2021-01-11
315 commits to main branch, last one 2 months ago
An SQLite extension for chemoinformatics applications.
Created
2013-04-01
403 commits to master branch, last one 28 days ago
Draw molecules with plotly!
Created
2022-07-19
33 commits to master branch, last one about a year ago