Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
☆649Jun 28, 2026Updated this week
Alternatives and similar repositories for avogadrolibs
Users that are interested in avogadrolibs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆253Jun 21, 2026Updated last week
- Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at htt…☆356Sep 1, 2021Updated 4 years ago
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,189Updated this week
- NWChem: Open Source High-Performance Computational Chemistry☆607Updated this week
- Parsers and algorithms for computational chemistry logfiles☆411Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,348Jun 23, 2026Updated last week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆395Jun 18, 2026Updated last week
- Packmol - Initial configurations for molecular dynamics simulations☆361May 27, 2026Updated last month
- WebGL accelerated JavaScript molecular graphics library☆988May 22, 2026Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆221Jun 22, 2026Updated last week
- Desktop integration of high performance computing resources☆31May 8, 2026Updated last month
- Molecular Orbital PACkage☆181May 3, 2026Updated last month
- Library for reading and writing chemistry files☆198Jun 19, 2026Updated last week
- A curated list of Python packages related to chemistry☆1,409Sep 21, 2025Updated 9 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Semiempirical Extended Tight-Binding Program Package☆807May 16, 2026Updated last month
- Python module for quantum chemistry☆1,621Jun 23, 2026Updated last week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,604Jun 23, 2026Updated last week
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆328Jun 16, 2026Updated 2 weeks ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆79Sep 11, 2021Updated 4 years ago
- Combining Psi4 and Numpy for education and development.☆398Jan 8, 2024Updated 2 years ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆372Jun 25, 2026Updated last week
- Flask backend for the Pitt Quantum Repository website☆16Apr 16, 2023Updated 3 years ago
- Quantum chemistry and solid state physics software package☆1,162Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆286Jan 4, 2026Updated 5 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jun 10, 2026Updated 3 weeks ago
- Python interface of cpptraj☆191Mar 6, 2026Updated 3 months ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,916Updated this week
- Molecular structure optimizer☆130Updated this week
- Domain specific library for electronic structure calculations☆166Updated this week
- The official sources for the RDKit library☆3,497Updated this week
- An open library for the analysis of molecular dynamics trajectories☆722Jun 22, 2026Updated last week
- Python API for the extended tight binding program package☆128Sep 3, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated 3 months ago
- The Chemistry Development Kit☆589Jun 13, 2026Updated 2 weeks ago
- Powerful, efficient particle trajectory analysis in scientific Python.☆323Jun 22, 2026Updated last week
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆195Jun 23, 2026Updated last week
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,712May 4, 2026Updated last month
- A plugin to use Nvidia GPU in PySCF package☆317Updated this week
- Development of the Chemical JSON data representation☆70Oct 19, 2025Updated 8 months ago