Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
☆266Sep 27, 2026Updated this week
Alternatives and similar repositories for avogadroapp
Users that are interested in avogadroapp 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 libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modelin…☆677Updated this week
- Parsers and algorithms for computational chemistry logfiles☆428Updated this week
- NWChem: Open Source High-Performance Computational Chemistry☆625Sep 16, 2026Updated last week
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆81Aug 8, 2023Updated 3 years ago
- Packmol - Initial configurations for molecular dynamics simulations☆379May 27, 2026Updated 4 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆352Jun 16, 2026Updated 3 months ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 8 months ago
- Desktop integration of high performance computing resources☆32May 8, 2026Updated 4 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆415Updated this week
- Semiempirical Extended Tight-Binding Program Package☆844Updated this week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆230Sep 5, 2026Updated 3 weeks ago
- Supermodule containing submodules and external project to build all components☆91Updated this week
- Main repository for the CP-PAW code☆12Sep 4, 2026Updated 3 weeks ago
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,222Sep 20, 2026Updated last week
- 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.
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,386Sep 14, 2026Updated 2 weeks ago
- 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 5 years ago
- Molecular Orbital PACkage☆186Aug 10, 2026Updated last month
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆79Sep 11, 2021Updated 5 years ago
- Wave-function analysis tool library☆28Mar 29, 2026Updated 5 months ago
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆22Jul 12, 2026Updated 2 months ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆201Sep 16, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Documentation and development website for Avogadro2☆17Updated this week
- An API for the Polarizable Continuum Model☆38May 31, 2023Updated 3 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 5 months ago
- Tinker: Software Tools for Molecular Design☆164Updated this week
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆170Sep 8, 2026Updated 2 weeks ago
- IQmol is an open source molecular editor and visualization package☆109Dec 15, 2022Updated 3 years ago
- Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).☆210May 14, 2026Updated 4 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46May 29, 2026Updated 3 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆62Nov 30, 2022Updated 3 years ago
- 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.
- Quantum chemistry and solid state physics software package☆1,212Updated this week
- MOPAC wrapper providing the PM6-ML correction☆25Mar 23, 2026Updated 6 months ago
- Tool to build force field input files for molecular simulation☆208Apr 1, 2026Updated 5 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- DFTB+ general package for performing fast atomistic simulations☆436Sep 21, 2026Updated last week
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Python interface for Q-Chem☆24Sep 1, 2026Updated 3 weeks ago