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1. drorlab/pensa drorlab/pensa Public

   PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.

   Python 85 17

2. drorlab/atom3d drorlab/atom3d Public

   ATOM3D: tasks on molecules in three dimensions

   Python 302 35

3. bio-phys/memdiff bio-phys/memdiff Public

   Implementation of corrections for diffusion coefficients in membrane simulations.

   Python 10 1

4. drorlab/GPCR-mining drorlab/GPCR-mining Public

   Functions to scrape GPCR data from the web.

   Python 16 2

5. bio-phys/cnt-gaff bio-phys/cnt-gaff Public

   Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.

   Rich Text Format 21 7

6. bio-phys/cnt-martini bio-phys/cnt-martini Public

   Generates Martini models for open carbon nanotubes to use with Gromacs.

   Python 12 5