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☆71Oct 3, 2025Updated 5 months ago
- Automated bonded parameters for Martini 3☆26Jul 20, 2025Updated 8 months ago
- Describe and apply transformation on molecular structures and topologies☆140Mar 5, 2026Updated 2 weeks ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆187Dec 19, 2025Updated 3 months ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Updated this week
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆32Nov 5, 2025Updated 4 months ago
- Automated calculation of cavity in molecular cages☆24Dec 7, 2025Updated 3 months ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆28May 2, 2020Updated 5 years ago
- ☆38Jan 31, 2022Updated 4 years ago
- Supernova's MM-PBSA binding free energy calculation tool.☆11Mar 15, 2026Updated last week
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆47Aug 19, 2024Updated last year
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆27Jan 21, 2026Updated 2 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆45Nov 25, 2025Updated 3 months ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated last month
- Software for automated processing of alchemical free energy calculations☆11Nov 7, 2022Updated 3 years ago
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆18Mar 16, 2026Updated last week
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Feb 8, 2026Updated last month
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆81Mar 16, 2026Updated last week
- ☆19Feb 6, 2017Updated 9 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated last year
- ☆12Jan 1, 2019Updated 7 years ago
- ☆64Dec 10, 2025Updated 3 months ago
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Updated this week
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated last year
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆114Dec 5, 2025Updated 3 months ago
- A tool for visualizing Martini force field simulations in VMD☆22Aug 22, 2025Updated 7 months ago
- ☆11Apr 16, 2021Updated 4 years ago
- CRIPT Python SDK☆11Apr 13, 2023Updated 2 years ago
- Automatic MARTINI parametrization of small organic molecules☆73May 28, 2025Updated 9 months ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆19Sep 27, 2023Updated 2 years ago
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated last week
- For the purpose of post progressing of MD carried by gromacs☆23Jul 2, 2025Updated 8 months ago
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated 6 months ago