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

⚡ A Molecular State Engine for React

LAMMPS inputs and data files

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

3D molecular fingerprints

Biomolecular Illustration Tool

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

A Consensus Docking Plugin for PyMOL

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

The Aquarium Lab Operating System

an integrated tool for molecular docking and virtual screening

🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇

Numerical integration grid for molecules.

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

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

Self explained tutorial for molecular dynamics simulation using gromacs

Command Line Interactive Periodic Table of Elements in multiple languages

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

3D molecular fingerprints (E3FP) paper repo

Web-first Visualisation platform for Multidimensional Data