Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package
☆29Jan 21, 2026Updated 4 months ago
Alternatives and similar repositories for PolySMart
Users that are interested in PolySMart are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆63Updated this week
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆22Apr 27, 2026Updated last month
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆16Jul 8, 2023Updated 2 years ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Apr 21, 2026Updated last month
- TS2CG version 2☆27Apr 18, 2026Updated last month
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Development of High-Throughput Polymer Network Atomistic Simulation☆27Jun 4, 2026Updated last week
- ☆20Jul 14, 2022Updated 3 years ago
- Generate PEG topology for GROMACS and LAMMPS☆26Aug 19, 2024Updated last year
- Builder for molecular systems☆17Feb 3, 2026Updated 4 months ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Nov 24, 2021Updated 4 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Apr 27, 2026Updated last month
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 8 months ago
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆23Mar 24, 2026Updated 2 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆67Nov 26, 2025Updated 6 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13May 12, 2026Updated 3 weeks ago
- Flexible storage of chemical topology for molecular simulation☆70Jun 2, 2026Updated last week
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 5 months ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆35Oct 24, 2025Updated 7 months ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated this week
- Primitive Path Analysis (PPA) for LAMMPS☆10Aug 25, 2022Updated 3 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆190May 8, 2026Updated last month
- python simulation interface for molecular modeling☆107Jun 26, 2022Updated 3 years 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.
- Bottom-up Open-source Coarse-graining Software☆21Aug 9, 2024Updated 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
- ☆52Jul 16, 2025Updated 10 months ago
- ☆65Dec 10, 2025Updated 6 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆63Dec 29, 2023Updated 2 years ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 3 years ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆19Nov 21, 2019Updated 6 years ago
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23May 27, 2026Updated 2 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- A tool for visualizing Martini force field simulations in VMD☆24May 11, 2026Updated last month
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆23Feb 14, 2024Updated 2 years ago
- PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems☆16Jan 20, 2022Updated 4 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 6 months ago
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆25May 17, 2026Updated 3 weeks ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆88Apr 19, 2026Updated last month