Toolbox for molecular animations in Blender, powered by Geometry Nodes.

• UpdatedNov 6, 2025
• Python

⚡ A Molecular State Engine for React

• UpdatedAug 15, 2025
• TypeScript

LAMMPS inputs and data files

• UpdatedOct 9, 2024

This is the repository for the Stmol project, a Streamlit component that uses py3Dmol to render molecules.

• UpdatedDec 6, 2023
• Python

3D molecular fingerprints

• UpdatedFeb 4, 2025
• Python

Biomolecular Illustration Tool

• UpdatedAug 17, 2024
• Fortran

Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]

• UpdatedFeb 3, 2024
• Python

PandaDock: A Physics-Based Molecular Docking using Python

• UpdatedJul 28, 2025
• HTML

A Consensus Docking Plugin for PyMOL

• UpdatedJun 10, 2024
• Python

an integrated tool for molecular docking and virtual screening

• UpdatedJun 19, 2025
• Python

The Aquarium Lab Operating System

• UpdatedOct 18, 2025
• Ruby

Official github repository of public UnityMol source code releases -- more details athttp://unitymol.sourceforge.net

• UpdatedJul 19, 2022
• C#

🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇

• UpdatedNov 12, 2021
• Python

Numerical integration grid for molecules.

• UpdatedAug 25, 2025
• Rust

Self explained tutorial for molecular dynamics simulation using gromacs

• UpdatedNov 16, 2024
• Shell

Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.

• UpdatedMay 9, 2024
• HTML

fractional api base on golang . golang math tools fractional molecular denominator 分数计算 分子 分母 运算

• UpdatedOct 8, 2019
• Go

Web-first Visualisation platform for Multidimensional Data

• UpdatedMar 20, 2025
• Python

An efficient method for the conversion from internal to Cartesian coordinates that utilizes the platform-agnostic JAX Python library.

• UpdatedJun 12, 2024
• Jupyter Notebook

Command Line Interactive Periodic Table of Elements in multiple languages

• UpdatedMar 28, 2023
• BASIC