Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
☆76Sep 11, 2021Updated 4 years ago
Alternatives and similar repositories for avogadro
Users that are interested in avogadro 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, …☆251Updated this week
- Perception and labelling of stereogenic centres in chemical structures☆20Apr 13, 2026Updated last month
- ☆13Aug 5, 2025Updated 9 months ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 5 years ago
- Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modelin…☆632Updated this 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.
- Molecular dynamics by NMR data analysis (mirror of the relax repository)☆13Jun 8, 2024Updated last year
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆18Jul 23, 2025Updated 9 months ago
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 3 years ago
- Protein-Protein Docking using Genetic Algorithm☆20Apr 23, 2026Updated 3 weeks ago
- optking: A molecular geometry optimization program☆27Apr 17, 2026Updated last month
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Jan 23, 2019Updated 7 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A Mathematica package for evaluating Carlson elliptic integrals☆11Sep 29, 2019Updated 6 years ago
- NAMD-xtb-QMMM-interface☆12Jul 21, 2020Updated 5 years ago
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆23Nov 29, 2013Updated 12 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years ago
- A package for visualizing molecules.☆12Sep 29, 2019Updated 6 years ago
- https://arxiv.org/abs/2102.11439☆21Apr 13, 2021Updated 5 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆67Dec 13, 2024Updated last year
- MolSurfComp is a Matlab package for molecular surface computation, in particular, for the solvent excluded surface (SES). It allows to co…☆10Feb 1, 2021Updated 5 years ago
- 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.
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆37Apr 15, 2026Updated last month
- Atomistic Manipulation Toolkit☆36Aug 27, 2025Updated 8 months ago
- Loop like a pro, make parameter studies fun.☆16Apr 19, 2026Updated last month
- Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/…☆916Updated this week
- LipidCreator is a powerful stand alone kick-off tool for targeted lipidomics and a plugin for Skyline. It provides convenient tools to ge…☆11Apr 10, 2026Updated last month
- Extended XYZ specification and parsers☆26Apr 30, 2026Updated 3 weeks ago
- 『Pythonで動かしてはじめる量子化学計算』（コロナ社，2024）☆24Jun 5, 2024Updated last year
- 2D/3D generation for small compounds☆33Feb 2, 2020Updated 6 years ago
- AutoRT: Peptide retention time prediction using deep learning☆30Jul 31, 2024Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆11Aug 21, 2018Updated 7 years ago
- The ParaView Tutorial LaTeX document☆13May 11, 2015Updated 11 years ago
- R Shiny app to develop ggplot2 with live plotting and downloadable code and plot files.☆20Jan 30, 2014Updated 12 years ago
- ☆11Jan 20, 2020Updated 6 years ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,890May 8, 2026Updated 2 weeks ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆26Oct 4, 2024Updated last year
- Python binding for odeiv2 interface from GNU Scientific Library (GSL)☆14May 10, 2026Updated last week