OpenChemistry / avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
☆436Updated this week
Related projects: ⓘ
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆182Updated this week
- Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at htt…☆333Updated 3 years ago
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,056Updated last month
- Parsers and algorithms for computational chemistry logfiles☆324Updated this week
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆959Updated last week
- Library for reading and writing chemistry files☆163Updated 6 months ago
- Semiempirical Extended Tight-Binding Program Package☆568Updated last week
- Computational Crystallography Toolbox☆216Updated this week
- NWChem: Open Source High-Performance Computational Chemistry☆496Updated 2 weeks ago
- An open library for the analysis of molecular dynamics trajectories☆584Updated this week
- DFTB+ general package for performing fast atomistic simulations☆325Updated last week
- Files used in TMP Chem videos on computational chemistry☆213Updated 4 years ago
- macromolecular crystallography library and utilities☆217Updated this week
- Development version of plumed 2☆352Updated this week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆309Updated this week
- Packmol - Initial configurations for molecular dynamics simulations☆220Updated last month
- Universal cheminformatics toolkit, utilities and database search tools☆313Updated this week
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆250Updated last month
- Collective variables library for molecular simulation and analysis programs☆201Updated this week
- The chemistry library you were waiting for☆213Updated last year
- Visual Interactive Analysis of Molecular Dynamics☆271Updated this week
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,141Updated 2 weeks ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆249Updated last month
- Parameter/topology editor and molecular simulator☆385Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆249Updated last month
- Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/…☆693Updated this week
- The Chemistry Development Kit☆488Updated this week
- Jupyter widget to interactively view molecular structures and trajectories☆812Updated 2 weeks ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,472Updated last week
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆235Updated 3 weeks ago