marrink-lab / vermouth-martinizeView external linksLinks
Describe and apply transformation on molecular structures and topologies
☆139Jan 21, 2026Updated 3 weeks ago
Alternatives and similar repositories for vermouth-martinize
Users that are interested in vermouth-martinize are comparing it to the libraries listed below
Sorting:
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆76Apr 11, 2024Updated last year
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆182Dec 19, 2025Updated last month
- Martini 3 small molecule database☆70Oct 3, 2025Updated 4 months ago
- Build coarse-grained mapping for molecules from a web-GUI☆17Sep 10, 2021Updated 4 years ago
- Automated bonded parameters for Martini 3☆25Jul 20, 2025Updated 6 months ago
- ☆62Dec 10, 2025Updated 2 months ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆19Sep 27, 2023Updated 2 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆40Nov 2, 2022Updated 3 years ago
- Automatic MARTINI parametrization of small organic molecules☆72May 28, 2025Updated 8 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆65Nov 26, 2025Updated 2 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆43Nov 25, 2025Updated 2 months ago
- Collection of interaction and molecule parameters for the Martini3 force-field☆20Feb 7, 2023Updated 3 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆46Aug 19, 2024Updated last year
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 6 months ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆32Nov 5, 2025Updated 3 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆26Jan 21, 2026Updated 3 weeks ago
- A tool for visualizing Martini force field simulations in VMD☆22Aug 22, 2025Updated 5 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆34Oct 24, 2025Updated 3 months ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated 10 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆381Jan 22, 2026Updated 3 weeks ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆33Jul 17, 2024Updated last year
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Algorithm for identifying hydrogen bond networks in CG proteins to implement Go-like Martini 3 models☆15Oct 25, 2024Updated last year
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆14Jan 2, 2026Updated last month
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- Parameter/topology editor and molecular simulator☆448Jan 12, 2026Updated last month
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆349Jan 6, 2026Updated last month
- ☆19Feb 6, 2017Updated 9 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆140Feb 9, 2026Updated last week
- A python toolkit for analysing membrane protein-lipid interactions.☆69Oct 22, 2025Updated 3 months ago
- Martini 3 Building Blocks for Lipid Nanoparticle Design☆21Feb 4, 2026Updated last week
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆169Updated this week
- Conversion tool for molecular simulations☆223Jan 22, 2026Updated 3 weeks ago
- An open library for the analysis of molecular dynamics trajectories☆699Updated this week
- TS2CG version 2☆26Dec 16, 2025Updated 2 months ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆35Dec 10, 2025Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Jan 30, 2026Updated 2 weeks ago
- High level API for using machine learning models in OpenMM simulations☆146Feb 10, 2026Updated last week
- Fully automated high-throughput MD pipeline☆88Updated this week