Conversion tool for molecular simulations
☆230Jan 22, 2026Updated 7 months ago
Alternatives and similar repositories for InterMol
Users that are interested in InterMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Parameter/topology editor and molecular simulator☆453Jul 1, 2026Updated last month
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 2 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆147Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆322Nov 17, 2025Updated 9 months ago
- Tool to build force field input files for molecular simulation☆207Apr 1, 2026Updated 4 months 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.
- ☆83Dec 18, 2024Updated last year
- the simple alchemistry library☆245Jun 1, 2026Updated 2 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆410Aug 18, 2026Updated last week
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆197Aug 17, 2026Updated last week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,638Aug 18, 2026Updated last week
- Development of High-Throughput Polymer Network Atomistic Simulation☆33Updated this week
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆81May 28, 2026Updated 3 months ago
- A hierarchical, component based molecule builder☆222Updated this week
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated 3 weeks 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.
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆192May 20, 2026Updated 3 months ago
- A fast solver for large scale MBAR/UWHAM equations☆42Sep 4, 2024Updated last year
- ☆24Jul 14, 2022Updated 4 years ago
- python simulation interface for molecular modeling☆108Jun 26, 2022Updated 4 years ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆379Aug 5, 2026Updated 3 weeks ago
- An open library for the analysis of molecular dynamics trajectories☆729Aug 19, 2026Updated last week
- Physical validation of molecular simulations☆65Jul 6, 2026Updated last month
- LOOS: a lightweight object-oriented structure analysis library☆131Jul 9, 2026Updated last month
- 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.
- OFFICIAL: AnteChamber PYthon Parser interfacE☆261May 20, 2026Updated 3 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- The MDAnalysis Toolkits Registry☆19Aug 23, 2026Updated last week
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆97Updated this week
- An open tool implementing some recommended practices for analyzing alchemical free energy calculations☆140May 24, 2024Updated 2 years ago
- ☆67Aug 19, 2026Updated last week
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Aug 24, 2016Updated 10 years ago
- Advanced toolkit for binding free energy calculations☆36Sep 2, 2025Updated 11 months ago
- Packmol - Initial configurations for molecular dynamics simulations☆377May 27, 2026Updated 3 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- a python package for the interfacial analysis of molecular simulations☆98Updated this week
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆315Feb 12, 2026Updated 6 months ago
- MDAnalysis wrapper around Packmol☆37May 1, 2023Updated 3 years ago
- Constant potential method in LAMMPS☆52Aug 10, 2023Updated 3 years ago
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆461Dec 15, 2025Updated 8 months ago
- tools for GROMACS☆150Jul 11, 2025Updated last year
- PDBFixer fixes problems in PDB files☆672Mar 10, 2026Updated 5 months ago