Martini-Force-Field-Initiative / MartiniGlassLinks
A tool for visualizing Martini force field simulations in VMD
☆20Updated 3 months ago
Alternatives and similar repositories for MartiniGlass
Users that are interested in MartiniGlass are comparing it to the libraries listed below
Sorting:
- Build coarse-grained mapping for molecules from a web-GUI☆15Updated 4 years ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆24Updated 4 years ago
- Enhanced sampling methods for molecular dynamics simulations☆41Updated 3 years ago
- A Python library for constructing polymer topologies and coordinates☆17Updated 2 months ago
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆15Updated 3 weeks ago
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆32Updated this week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆23Updated 3 weeks ago
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆19Updated this week
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Updated 6 years ago
- ☆25Updated 3 years ago
- An engine for electrostatic ML embedding for multiscale modelling.☆25Updated last week
- A Python toolkit for the analyis of lipid membrane simulations☆33Updated last month
- AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations☆45Updated this week
- ☆40Updated last year
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆41Updated 4 years ago
- Automatic Mutual Information Noise Omission☆15Updated last year
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆71Updated 3 weeks ago
- Automated calculation of cavity in molecular cages☆23Updated 2 weeks ago
- The future of Packmol☆40Updated 2 weeks ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆38Updated 3 years ago
- Physical validation of molecular simulations☆57Updated 2 months ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆14Updated 4 months ago
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆96Updated 2 weeks ago
- Repository for MD methods and analysis from submitted or published work☆19Updated 2 years ago
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30Updated 3 years ago
- RESP with inter- and intra-molecular constraints in Psi4.☆32Updated 2 years ago
- Gromacs Implementation of OPLS-AAM Force field☆14Updated 7 years ago
- Robust Equilibration Detection☆26Updated 3 months ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Updated last year
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆42Updated 3 weeks ago