Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (bottom-up) and experimental data (top-down)
☆10Jun 6, 2023Updated 2 years ago
Alternatives and similar repositories for SwarmCGM
Users that are interested in SwarmCGM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆21Aug 16, 2019Updated 6 years ago
- Automatic MARTINI parametrization of small organic molecules☆73May 28, 2025Updated 11 months ago
- Algorithm for identifying hydrogen bond networks in CG proteins to implement Go-like Martini 3 models☆17Oct 25, 2024Updated last year
- TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation☆32Apr 17, 2025Updated last year
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆48Aug 19, 2024Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆66Nov 26, 2025Updated 5 months ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 3 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆23Feb 25, 2019Updated 7 years ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Sep 13, 2023Updated 2 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 6 months ago
- Molecular simulation toolkit☆20Sep 17, 2025Updated 7 months ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Jan 2, 2021Updated 5 years ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated last year
- 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.
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆38Mar 23, 2026Updated last month
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 3 months ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆188Apr 14, 2026Updated 2 weeks ago
- MemSurfer is a software tool to compute bilayer membrane surfaces.☆27May 23, 2024Updated last year
- OpenMM plugin for simulating electrochemical systems☆22Sep 23, 2024Updated last year
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Apr 21, 2026Updated last week
- Collection of Python scripts to setup and run simulations with OpenMM☆17May 22, 2020Updated 5 years ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- An elementary MD simulation program written in python☆24Sep 29, 2021Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- Martini 3 small molecule database☆72Oct 3, 2025Updated 6 months ago
- ☆28Jan 20, 2022Updated 4 years ago
- An automated framework for generating optimized partial charges for molecules☆40Apr 6, 2026Updated 3 weeks ago
- ☆25Jan 16, 2024Updated 2 years ago
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆24Updated this week
- ☆11Dec 20, 2023Updated 2 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- MDAnalysis tool to calculate membrane curvature.☆35Updated this week
- 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.
- ☆12Feb 4, 2025Updated last year
- Example of using JupyterHub with JupyterLab RTC☆11Dec 17, 2021Updated 4 years ago
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆30Sep 6, 2024Updated last year
- PyMed is a Python library that provides access to PubMed. This is a user-maintained fork from the archived original.☆18Mar 14, 2026Updated last month
- Describe and apply transformation on molecular structures and topologies☆144Updated this week
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated 11 months ago