maccallumlab / martini_openmm
☆53Updated last year
Alternatives and similar repositories for martini_openmm:
Users that are interested in martini_openmm are comparing it to the libraries listed below
- Random Acceleration Molecular Dynamics in GROMACS☆36Updated 8 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆78Updated 9 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Updated last year
- ☆68Updated 8 months ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆44Updated 4 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆66Updated last year
- 📐 Symmetry-corrected RMSD in Python☆93Updated 4 months ago
- ☆51Updated this week
- OpenMM plugin to interface with PLUMED☆66Updated last month
- MDANCE is a flexible n-ary clustering package for all applications.☆52Updated 3 weeks ago
- ☆31Updated 5 months ago
- Trusted force field files for gromacs☆46Updated 5 months ago
- ☆64Updated last year
- Temperature generator for Replica Exchange MD simulations☆27Updated 2 years ago
- The public versio☆51Updated last year
- A python implementation of the string method with swarms of trajectories using GROMACS☆18Updated 2 years ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated last year
- Force Fields☆57Updated 2 months ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆58Updated last year
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆35Updated 3 years ago
- ☆55Updated last year
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆54Updated 11 months ago
- ☆33Updated 6 months ago
- Simple protein-ligand complex simulation with OpenMM☆82Updated last year
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆122Updated 2 weeks ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆67Updated 2 months ago
- The Free Energy Landscape Analysis tool offers a comprehensive suite for analyzing and visualizing the free energy landscape derived from…☆20Updated last month
- A simple implementation of replica exchange MD simulations for OpenMM.☆23Updated 3 years ago
- Density based object completion over PBC.☆27Updated 3 months ago
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆58Updated last year