Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
☆49Aug 19, 2024Updated 2 years ago
Alternatives and similar repositories for Swarm-CG
Users that are interested in Swarm-CG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated 2 months ago
- Automatic MARTINI parametrization of small organic molecules☆76May 28, 2025Updated last year
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Nov 24, 2021Updated 4 years ago
- Tool for generating MARTINI Polymer itps and structures☆17Aug 1, 2020Updated 6 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆201Sep 29, 2026Updated last week
- Martini 3 small molecule database☆73May 13, 2026Updated 4 months ago
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 5 years ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆34Nov 5, 2025Updated 11 months ago
- ☆12Jan 1, 2019Updated 7 years ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆25Jan 27, 2020Updated 6 years ago
- Describe and apply transformation on molecular structures and topologies☆151Oct 2, 2026Updated last week
- ☆21Aug 16, 2019Updated 7 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆24Feb 25, 2019Updated 7 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tools to build coarse grained models and perform simulations with OpenMM☆24Aug 12, 2026Updated last month
- A python toolkit for analysing membrane protein-lipid interactions.☆72Mar 30, 2026Updated 6 months ago
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 6 months ago
- The MDAnalysis Toolkits Registry☆19Updated this week
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆49Updated this week
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated 2 months ago
- To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.☆32Apr 15, 2025Updated last year
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆20Oct 1, 2026Updated last week
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Jun 17, 2026Updated 3 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 9 months ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆39Oct 1, 2026Updated last week
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 3 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆37Jun 20, 2026Updated 3 months ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 8 years ago
- TS2CG version 2☆29Apr 18, 2026Updated 5 months ago
- ☆67Dec 10, 2025Updated 9 months ago
- ☆15Dec 17, 2025Updated 9 months ago
- Build coarse-grained mapping for molecules from a web-GUI☆20Sep 10, 2021Updated 5 years 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.
- Bottom-up Open-source Coarse-graining Software☆24Jun 12, 2026Updated 3 months ago
- Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across Multiple Resolutions☆18Oct 2, 2026Updated last week
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated 2 years ago
- a python package for the interfacial analysis of molecular simulations☆98Sep 11, 2026Updated 3 weeks ago
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 2 years ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Jul 20, 2026Updated 2 months ago
- GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Pyth…☆11Nov 14, 2016Updated 9 years ago