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
-
Updated
Jun 30, 2021 - Python
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
A toolkit for working with coarse-grain systems
Massively parallel hybrid particle-field molecular dynamics in Python.
Object-Oriented Perl 5, Moose Library for Molecular Hacking
⚡ general purpose coarse-grained molecular dynamics simulation package
Differentiable molecular simulation of proteins with a coarse-grained potential
Generate and perturb protein structural ensembles using the ExProSE algorithm
Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia
COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3
Molecular simulator for proteins that uses Go-type potentials
Force field parameters and supplementary scripts for the "A coarse-grained model for DNA origami" paper by R. Reshetnikov, A. Stolyarova, A. Zalevsky et. al.
This repo consists of Monte Carlo C++ codes used to run coarse-grained simulations for biopolymers like DNA.
Analyze two-component nanoparticle properties for classical molecular dynamics simulations
Tutorial examples for HylleraasMD
Files required for our tutorial on PEGylated proteins
Molecular Dynamics Trajectory Analysis Tools
Simulating tumour development in two and three dimensions using the framework of the spatial Tangled Nature model
Add a description, image, and links to the coarse-grained topic page so that developers can more easily learn about it.
To associate your repository with the coarse-grained topic, visit your repo's landing page and select "manage topics."