marrink-lab

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1. vermouth-martinize vermouth-martinize Public

   Describe and apply transformation on molecular structures and topologies

   Python 150 61

2. polyply_1.0 polyply_1.0 Public

   Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates

   Python 199 37

3. bentopy bentopy Public

   Packs stuff in boxes

   Rust 25 2

4. MDVoxelSegmentation MDVoxelSegmentation Public

   A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.

   HTML 34 12

5. gromit gromit Public

   Auxiliary tools for automated atomistic and coarse-grained molecular dynamics simulations using gromacs

   Python 11 12

6. martini-forcefields martini-forcefields Public

   Collection of interaction and molecule parameters for the Martini3 force-field

   Python 23 6