VMD plugin for manipulating topology information
☆41Jun 2, 2025Updated 10 months ago
Alternatives and similar repositories for topotools
Users that are interested in topotools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆38May 8, 2023Updated 2 years ago
- Learning Molecular Dynamics with LAMMPS☆16Jan 15, 2024Updated 2 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆20Feb 14, 2024Updated 2 years ago
- Visualization and editing of periodic molecular structure files.☆27Jan 20, 2026Updated 2 months ago
- Gromacs to Lammps simulation converter☆92Dec 9, 2023Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- ☆38Dec 6, 2012Updated 13 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 4 months ago
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- A library for converting molecular topologies☆13May 20, 2015Updated 10 years ago
- scripts for analyzing molecular dynamics trajectories using VMD☆40May 28, 2015Updated 10 years ago
- ☆49Jun 15, 2020Updated 5 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- Conversion tool for molecular simulations☆225Jan 22, 2026Updated 2 months ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated last week
- Algorithms to analyze and predict molecular structures☆23Jul 4, 2025Updated 9 months ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated last month
- Files used in tutorials☆46Apr 26, 2020Updated 5 years ago
- Development version of the pbctools plugin for VMD.☆16Aug 19, 2025Updated 7 months ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆27Mar 22, 2022Updated 4 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- a VMD plugin for binding affinity prediction using end-point free energy methods☆28Apr 23, 2016Updated 9 years ago
- Tool to build force field input files for molecular simulation☆195Apr 1, 2026Updated 2 weeks ago
- Collective variables library for molecular simulation and analysis programs☆236Apr 9, 2026Updated last week
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Aug 24, 2016Updated 9 years ago
- ☆10Dec 27, 2019Updated 6 years ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆311Nov 17, 2025Updated 5 months ago
- Parameter/topology editor and molecular simulator☆452Apr 9, 2026Updated last week
- ☆28Feb 25, 2022Updated 4 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Apr 12, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Classical molecular simulation code☆164Jul 13, 2024Updated last year
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 10 years ago
- A fast solver for large scale MBAR/UWHAM equations☆40Sep 4, 2024Updated last year
- MDAnalysis wrapper around Packmol☆37May 1, 2023Updated 2 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 7 years ago