Build coarse-grained mapping for molecules from a web-GUI
☆18Sep 10, 2021Updated 4 years ago
Alternatives and similar repositories for cgbuilder
Users that are interested in cgbuilder are comparing it to the libraries listed below
Sorting:
- Martini 3 small molecule database☆70Oct 3, 2025Updated 4 months ago
- Describe and apply transformation on molecular structures and topologies☆139Updated this week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆26Jan 21, 2026Updated last month
- Automated bonded parameters for Martini 3☆25Jul 20, 2025Updated 7 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆43Nov 25, 2025Updated 3 months ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆182Dec 19, 2025Updated 2 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆76Apr 11, 2024Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Feb 8, 2026Updated 3 weeks ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated last month
- Supernova's MM-PBSA binding free energy calculation tool.☆11Updated this week
- ☆19Feb 6, 2017Updated 9 years ago
- Software for automated processing of alchemical free energy calculations☆11Nov 7, 2022Updated 3 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆13Jan 12, 2026Updated last month
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated last year
- A tool for visualizing Martini force field simulations in VMD☆22Aug 22, 2025Updated 6 months ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆32Nov 5, 2025Updated 3 months ago
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated last year
- Mapping from Coarse Grain Models to Atomistic (and Back)☆19Sep 27, 2023Updated 2 years ago
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆18Feb 23, 2026Updated last week
- Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package f…☆21Feb 2, 2026Updated last month
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Oct 24, 2025Updated 4 months ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- ☆38Jan 31, 2022Updated 4 years ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆32Updated this week
- Multiscale Simulation Tool for Backmapping☆22Feb 7, 2026Updated 3 weeks ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Aug 5, 2025Updated 6 months ago
- Automatic MARTINI parametrization of small organic molecules☆72May 28, 2025Updated 9 months ago
- Generate PEG topology for GROMACS and LAMMPS☆25Aug 19, 2024Updated last year
- For the purpose of post progressing of MD carried by gromacs☆23Jul 2, 2025Updated 8 months 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
- Notebooks for NYU Statistical Mechanics☆20Jul 6, 2023Updated 2 years ago
- Some practical theoretic background needed for running MD simulations☆21Aug 1, 2025Updated 7 months ago
- Main repository for METAGUI3☆20Jun 19, 2021Updated 4 years ago
- Convert coarse-grained protein structure to all-atom model☆53Jun 7, 2025Updated 8 months ago
- Automated calculation of cavity in molecular cages☆24Dec 7, 2025Updated 2 months ago