Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
☆657Jul 19, 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, …☆255Updated 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…☆356Sep 1, 2021Updated 4 years ago
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,198Jul 15, 2026Updated last week
- NWChem: Open Source High-Performance Computational Chemistry☆614Updated this week
- Parsers and algorithms for computational chemistry logfiles☆417Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,354Jul 11, 2026Updated last week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆401Updated this week
- Packmol - Initial configurations for molecular dynamics simulations☆363May 27, 2026Updated last month
- WebGL accelerated JavaScript molecular graphics library☆995May 22, 2026Updated 2 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆227Updated this week
- Desktop integration of high performance computing resources☆32May 8, 2026Updated 2 months ago
- Molecular Orbital PACkage☆183May 3, 2026Updated 2 months ago
- Library for reading and writing chemistry files☆200Jun 19, 2026Updated last month
- A curated list of Python packages related to chemistry☆1,421Sep 21, 2025Updated 10 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Semiempirical Extended Tight-Binding Program Package☆818Jul 13, 2026Updated last week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,610Updated this week
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆337Jun 16, 2026Updated last month
- Python module for quantum chemistry☆1,636Updated this week
- 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)☆375Jul 13, 2026Updated last week
- Flask backend for the Pitt Quantum Repository website☆16Apr 16, 2023Updated 3 years ago
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆287Jan 4, 2026Updated 6 months ago
- 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.
- Quantum chemistry and solid state physics software package☆1,172Updated this week
- Python interface of cpptraj☆191Mar 6, 2026Updated 4 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jun 10, 2026Updated last month
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,932Updated this week
- Domain specific library for electronic structure calculations☆167Updated this week
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated 3 months ago
- Molecular structure optimizer☆130Updated this week
- An open library for the analysis of molecular dynamics trajectories☆724Updated this week
- The official sources for the RDKit library☆3,526Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python API for the extended tight binding program package☆129Sep 3, 2024Updated last year
- Powerful, efficient particle trajectory analysis in scientific Python.☆324Updated this week
- The Chemistry Development Kit☆593Jul 7, 2026Updated 2 weeks ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆196Jun 23, 2026Updated 3 weeks ago
- Tool to build force field input files for molecular simulation☆204Apr 1, 2026Updated 3 months ago
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,718Updated this week
- Development of the Chemical JSON data representation☆70Oct 19, 2025Updated 9 months ago