Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
☆624Apr 29, 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, …☆250Updated 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☆1,169Apr 17, 2026Updated 2 weeks ago
- NWChem: Open Source High-Performance Computational Chemistry☆597Updated this week
- Parsers and algorithms for computational chemistry logfiles☆405Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,313Mar 4, 2025Updated last year
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆392Apr 24, 2026Updated last week
- Packmol - Initial configurations for molecular dynamics simulations☆350Mar 30, 2026Updated last month
- WebGL accelerated JavaScript molecular graphics library☆967Mar 29, 2026Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆212Apr 13, 2026Updated 2 weeks ago
- Desktop integration of high performance computing resources☆30Oct 24, 2024Updated last year
- Molecular Orbital PACkage☆173Apr 5, 2026Updated 3 weeks ago
- Library for reading and writing chemistry files☆196Jan 23, 2026Updated 3 months ago
- A curated list of Python packages related to chemistry☆1,389Sep 21, 2025Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Semiempirical Extended Tight-Binding Program Package☆783Updated this week
- Python module for quantum chemistry☆1,564Updated this week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,572Updated this week
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆311Dec 9, 2025Updated 4 months ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆76Sep 11, 2021Updated 4 years ago
- Combining Psi4 and Numpy for education and development.☆391Jan 8, 2024Updated 2 years ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆361Apr 24, 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☆1,101Updated 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.
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆284Jan 4, 2026Updated 3 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Mar 12, 2026Updated last month
- Python interface of cpptraj☆191Mar 6, 2026Updated last month
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,871Apr 17, 2026Updated 2 weeks ago
- Domain specific library for electronic structure calculations☆163Apr 25, 2026Updated last week
- Molecular structure optimizer☆130Dec 17, 2022Updated 3 years ago
- The official sources for the RDKit library☆3,405Apr 24, 2026Updated last week
- An open library for the analysis of molecular dynamics trajectories☆712Apr 7, 2026Updated 3 weeks ago
- Python API for the extended tight binding program package☆125Sep 3, 2024Updated last year
- 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.
- The Chemistry Development Kit☆581Apr 24, 2026Updated last week
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated last month
- Powerful, efficient particle trajectory analysis in scientific Python.☆319Apr 21, 2026Updated last week
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆188Updated this week
- A plugin to use Nvidia GPU in PySCF package☆300Apr 23, 2026Updated last week
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,663Mar 25, 2026Updated last month
- Ångström, a Python package for molecular architecture and visualization☆18May 15, 2020Updated 5 years ago