marrink-lab / martini-forcefieldsLinks
Collection of interaction and molecule parameters for the Martini3 force-field
☆18Updated 2 years ago
Alternatives and similar repositories for martini-forcefields
Users that are interested in martini-forcefields are comparing it to the libraries listed below
Sorting:
- ☆56Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆39Updated last year
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- MDANCE is a flexible n-ary clustering package for all applications.☆70Updated last month
- The official repository of Uni-pKa☆68Updated 5 months ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆72Updated 2 years ago
- ☆22Updated 2 months ago
- The public versio☆62Updated 2 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆36Updated 3 years ago
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆37Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated last month
- Martini 3 small molecule database☆64Updated 3 weeks ago
- Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations☆50Updated 4 months ago
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆67Updated 2 years ago
- OpenMM plugin to interface with PLUMED☆67Updated 6 months ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆48Updated 4 years ago
- PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems☆15Updated 3 years ago
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆15Updated 3 months ago
- ☆15Updated 3 years ago
- Statistical models for biomolecular dynamics☆38Updated 3 months ago
- Density based object completion over PBC.☆30Updated 8 months ago
- Workshop teaching QMMM using Amber☆65Updated 3 weeks ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆50Updated 5 months ago
- ☆68Updated last year
- ☆38Updated 11 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- ☆65Updated last month
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆18Updated 2 years ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆50Updated 3 months ago