marrink-lab / TS2CG
TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation
☆29Updated 3 years ago
Alternatives and similar repositories for TS2CG:
Users that are interested in TS2CG are comparing it to the libraries listed below
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆43Updated 3 years ago
- ☆36Updated 2 weeks ago
- A Python toolkit for the analyis of lipid membrane simulations☆29Updated 2 weeks ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆22Updated 7 months ago
- Collection of interaction and molecule parameters for the Martini3 force-field☆14Updated 2 years ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆26Updated 3 weeks ago
- Sire Molecular Simulations Framework☆95Updated last year
- ☆51Updated this week
- ☆33Updated 6 months ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆34Updated last year
- ☆25Updated last year
- The MDAnalysis Toolkits Registry☆17Updated this week
- RESP with inter- and intra-molecular constraints in Psi4.☆30Updated last year
- A simple implementation of replica exchange MD simulations for OpenMM.☆23Updated 3 years ago
- ☆23Updated 3 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆33Updated 2 years ago
- Rigid body fitting of atomic strucures in cryo-electron microscopy density maps☆20Updated 4 months ago
- Enhanced sampling methods for molecular dynamics simulations☆36Updated 2 years ago
- ☆53Updated last year
- A tool for setting up free energy simulations.☆35Updated 2 years ago
- OpenMM plugin to interface with XTB☆16Updated last month
- A repository for tutorials and FAQ's about LigParGen☆22Updated 6 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆34Updated last month
- Rigid Body Dynamics with OpenMM☆11Updated 6 years ago
- Source code for HOLE program.☆35Updated 7 months ago
- ☆21Updated 7 months ago
- ☆42Updated 2 months ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last year
- A fast solver for large scale MBAR/UWHAM equations☆38Updated 6 months ago
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆53Updated 10 months ago