Martini-Force-Field-Initiative / M3-Lipid-ParametersLinks
Home of the public Martini 3 lipid parameters
☆18Updated 3 months ago
Alternatives and similar repositories for M3-Lipid-Parameters
Users that are interested in M3-Lipid-Parameters are comparing it to the libraries listed below
Sorting:
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆14Updated 4 months ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆31Updated this week
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆14Updated 3 weeks ago
- ☆29Updated 2 years ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆24Updated 4 years ago
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆32Updated this week
- A tool for visualizing Martini force field simulations in VMD☆21Updated 4 months ago
- Advanced tutorials for WESTPA 2.0☆15Updated 2 months ago
- ☆40Updated last year
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆12Updated last year
- Repository for MD methods and analysis from submitted or published work☆20Updated 2 years ago
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆19Updated 5 years ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Updated 3 months ago
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆25Updated 3 months ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆27Updated 5 years ago
- ☆12Updated last year
- Enhanced sampling methods for molecular dynamics simulations☆41Updated 3 years ago
- UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine lear…☆23Updated 7 months ago
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆17Updated 3 years ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Updated 6 years ago
- Constant pH simulation with OpenMM☆16Updated 9 months ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 8 months ago
- Absolute solvation free energy calculations with OpenFF and OpenMM☆26Updated last year
- ☆25Updated 3 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated 2 years ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated 2 years ago
- Partial Charge assignment for Molecular Dynamics☆23Updated 3 weeks ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆42Updated last month
- Tools to build coarse grained models and perform simulations with OpenMM☆25Updated 3 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago