Tsjerk / BackwardLinks
Mapping from Coarse Grain Models to Atomistic (and Back)
☆19Updated 2 years ago
Alternatives and similar repositories for Backward
Users that are interested in Backward are comparing it to the libraries listed below
Sorting:
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated last week
- How to analyze molecular dynamics data with PyEMMA☆81Updated 6 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆38Updated 3 years ago
- Build coarse-grained mapping for molecules from a web-GUI☆15Updated 4 years ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆29Updated last month
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆57Updated this week
- A repository for tutorials and FAQ's about LigParGen☆24Updated 7 years ago
- Main code repository for FATSLiM☆23Updated 3 years ago
- 2D/3D generation for small compounds☆33Updated 5 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆42Updated last year
- Get access to our MD data files.☆29Updated 2 years ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated last year
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆27Updated 5 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆23Updated 9 months ago
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆33Updated last month
- Enhanced sampling methods for molecular dynamics simulations☆41Updated 2 years ago
- The future of Packmol☆39Updated this week
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆14Updated 3 months ago
- Physical validation of molecular simulations☆57Updated last month
- ☆19Updated 8 years ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆48Updated 3 years ago
- Main repository for METAGUI3☆20Updated 4 years ago
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆53Updated last year
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated 3 weeks ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆71Updated last year
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆21Updated last year
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26Updated 4 years ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago