Jerkwin / Jerkwin.github.io
☆80Updated 3 months ago
Related projects: ⓘ
- tools for GROMACS☆96Updated 2 months ago
- GridMAT-MD membrane analysis program☆23Updated 6 years ago
- Martini 3 small-molecule database☆54Updated last month
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆33Updated 4 years ago
- Python code for learning Molecular Dynamics simulations☆52Updated 3 years ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆56Updated last month
- LiveCoMS GROMACS Tutorials Paper☆105Updated 5 years ago
- Workshop teaching QMMM using Amber☆53Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆42Updated 5 months ago
- Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.☆28Updated 2 years ago
- some scripts for analysis of MD and CADD. And some tutorials.☆47Updated last month
- Gromacs to Lammps simulation converter☆65Updated 9 months ago
- ☆55Updated last month
- A python script to prepare GROMACS input files using INTERFACE forcefield☆19Updated 2 years ago
- ☆35Updated 2 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆131Updated last month
- DeepModeling community content☆82Updated last week
- Automatic MARTINI parametrization of small organic molecules☆57Updated 2 weeks ago
- VMD plugin for manipulating topology information☆28Updated 11 months ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆32Updated last year
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆28Updated 2 years ago
- ☆44Updated 11 months ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆20Updated 4 years ago
- A TCL code for the calculation of mass/number density of a system.☆14Updated 3 months ago
- ☆18Updated 3 weeks ago
- scripts for analyzing molecular dynamics trajectories using VMD☆35Updated 9 years ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆10Updated last month
- ☆47Updated last year
- PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems☆13Updated 2 years ago
- ☆35Updated this week