maccallumlab / martini_openmmLinks
☆56Updated 2 years ago
Alternatives and similar repositories for martini_openmm
Users that are interested in martini_openmm are comparing it to the libraries listed below
Sorting:
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆72Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 3 weeks ago
- Force Fields☆64Updated 6 months ago
- Random Acceleration Molecular Dynamics in GROMACS☆38Updated last year
- OpenMM plugin to interface with PLUMED☆68Updated 5 months ago
- The public versio☆61Updated 2 years ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆48Updated 4 years ago
- Workshop teaching QMMM using Amber☆65Updated 2 years ago
- Density based object completion over PBC.☆30Updated 8 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- ☆37Updated 11 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Updated 2 years ago
- ☆33Updated 9 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆128Updated this week
- Describe and apply transformation on molecular structures and topologies☆118Updated this week
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆61Updated last year
- ☆65Updated 2 weeks ago
- 📐 Symmetry-corrected RMSD in Python☆100Updated 3 months ago
- MDANCE is a flexible n-ary clustering package for all applications.☆69Updated last month
- ☆67Updated 2 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆35Updated 3 years ago
- An application for configuring and running simulations with OpenMM☆71Updated 3 weeks ago
- ☆68Updated last year
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆18Updated 2 years ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 6 months ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆32Updated last year
- Martini 3 small molecule database☆62Updated this week
- Best practice document for alchemical free energy calculations going to livecoms journal☆75Updated this week
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆135Updated last month
- Trusted force field files for gromacs☆56Updated 9 months ago