Martini-Force-Field-Initiative / MartiniGlassLinks
A tool for visualizing Martini force field simulations in VMD
☆19Updated 3 months ago
Alternatives and similar repositories for MartiniGlass
Users that are interested in MartiniGlass are comparing it to the libraries listed below
Sorting:
- A simple implementation of replica exchange MD simulations for OpenMM.☆24Updated 4 years ago
- Enhanced sampling methods for molecular dynamics simulations☆41Updated 2 years ago
- Home of the public Martini 3 lipid parameters☆16Updated 2 months ago
- A Python library for constructing polymer topologies and coordinates☆16Updated 2 months ago
- Build coarse-grained mapping for molecules from a web-GUI☆15Updated 4 years ago
- Partial Charge assignment for Molecular Dynamics☆23Updated last month
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆19Updated 3 months ago
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆32Updated this week
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30Updated 3 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆23Updated 9 months ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Updated 2 months ago
- Package for consistent reporting of relative free energy results☆40Updated 2 weeks ago
- ☆39Updated last year
- Bottom-up Open-source Coarse-graining Software☆21Updated last year
- Repository for MD methods and analysis from submitted or published work☆19Updated 2 years ago
- Absolute solvation free energy calculations with OpenFF and OpenMM☆25Updated 11 months ago
- ☆10Updated 2 years ago
- Machine learning interatomic potential for condensed-phase reactive chemistry☆21Updated last year
- Implementation of Differentiable Molecular Simulations with torchMD.☆15Updated 2 years ago
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆12Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆13Updated 3 months ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆28Updated last month
- The future of Packmol☆39Updated 5 months ago
- An automated framework for generating optimized partial charges for molecules☆39Updated last month
- Mindless molecule generator in a Python package.☆39Updated last week
- A universal ML model to predict molecular dynamics trajectories with long time steps☆22Updated last month
- Automated calculation of cavity in molecular cages☆23Updated 8 months ago
- OpenFF NAGL☆19Updated last week
- A Python toolkit for the analyis of lipid membrane simulations☆33Updated last month
- Python program for modelling and simulating polymers.☆39Updated last month