18 results found Sort:
- Filter by Primary Language:
- Python (13)
- Jupyter Notebook (2)
- C++ (1)
- Dockerfile (1)
- HTML (1)
- +
The official sources for the RDKit library
Created
2013-05-12
7,942 commits to master branch, last one 20 hours ago
Molecular Processing Made Easy.
Created
2021-02-23
1,462 commits to main branch, last one 5 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
185 commits to master branch, last one 27 days 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 7 months ago
Plausibility checks for generated molecule poses.
Created
2023-07-13
57 commits to main branch, last one 3 months ago
Python for chemoinformatics
Created
2018-12-12
301 commits to master branch, last one 3 years ago
Interactive molecule viewer for 2D structures
Created
2021-03-17
262 commits to master branch, last one about a year 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
1,027 commits to master branch, last one 8 days 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 11 months ago
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
Created
2021-03-27
272 commits to main branch, last one 13 days ago
psi4+RDKit
Created
2018-09-15
15 commits to master branch, last one 4 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 8 months ago
An SQLite extension for chemoinformatics applications.
Created
2013-04-01
403 commits to master branch, last one 6 months ago
Draw molecules with plotly!
Created
2022-07-19
34 commits to master branch, last one 2 months ago
polyGNN is a Python library to automate ML model training for polymer informatics.
Created
2022-06-01
90 commits to main branch, last one 2 months ago