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A Javascript cheminformatics toolkit.

JavaScript 277 67 Updated May 22, 2026

Open-source online virtual screening tools for large databases

HTML 44 4 Updated Mar 11, 2026

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Jupyter Notebook 697 170 Updated Feb 27, 2026

chemical graph theory library for JavaScript

JavaScript 103 17 Updated Jun 14, 2026

Deep generative models of 3D grids for structure-based drug discovery

Python 238 45 Updated Mar 10, 2023

Python3 translation of AutoDockTools

Python 144 35 Updated May 31, 2024

This package contains deep learning models and related scripts for RoseTTAFold

Python 2,246 455 Updated Feb 15, 2024

Open source code for AlphaFold 2.

Python 14,666 2,629 Updated Apr 22, 2026

3 dimensional spatial transformations

Python 509 84 Updated Jul 6, 2024

Highcharts JS, the JavaScript charting framework

TypeScript 12,459 3,860 Updated Jun 13, 2026

Remote protein homology detection suite.

C 622 151 Updated Aug 12, 2025

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

C 1,696 379 Updated May 4, 2026

Instructional notebooks on music information retrieval.

Jupyter Notebook 1,276 413 Updated May 19, 2026

网易云音乐命令行版本

Python 9,804 1,562 Updated Jun 11, 2026

A Python Package for Protein Dynamics Analysis

Python 549 176 Updated Jun 8, 2026

Library for conversion between Traditional and Simplified Chinese

C++ 9,754 1,053 Updated Jun 14, 2026