OpenChemistry / avogadrolibsLinks
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
☆567Updated this week
Alternatives and similar repositories for avogadrolibs
Users that are interested in avogadrolibs are comparing it to the libraries listed below
Sorting:
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆232Updated 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…☆346Updated 4 years ago
- NWChem: Open Source High-Performance Computational Chemistry☆572Updated this week
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,100Updated last month
- Parsers and algorithms for computational chemistry logfiles☆379Updated this week
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,236Updated 7 months ago
- Computational Crystallography Toolbox☆265Updated this week
- Development version of plumed 2☆458Updated last week
- Semiempirical Extended Tight-Binding Program Package☆713Updated 3 months ago
- DFTB+ general package for performing fast atomistic simulations☆396Updated 2 weeks ago
- Quantum chemistry and solid state physics software package☆1,010Updated this week
- Files used in TMP Chem videos on computational chemistry☆234Updated 5 years ago
- Universal cheminformatics toolkit, utilities and database search tools☆364Updated last week
- Library for reading and writing chemistry files☆185Updated 3 weeks ago
- Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/…☆832Updated last week
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆75Updated 4 years ago
- Packmol - Initial configurations for molecular dynamics simulations☆306Updated last week
- The Chemistry Development Kit☆554Updated this week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆200Updated last month
- Collective variables library for molecular simulation and analysis programs☆233Updated this week
- Parameter/topology editor and molecular simulator☆439Updated 2 months ago
- Combining Psi4 and Numpy for education and development.☆380Updated last year
- The chemistry library you were waiting for☆217Updated 2 years ago
- An open library for the analysis of molecular dynamics trajectories☆673Updated this week
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆273Updated 3 weeks ago
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆288Updated 2 weeks ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆176Updated 3 weeks ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆365Updated this week
- pyiron - an integrated development environment (IDE) for computational materials science.☆423Updated 2 weeks ago
- Python version of the amazing Reaction Mechanism Generator (RMG).☆483Updated this week