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1. unomd unomd Public

   Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.

   Python 186 36

2. dock-prep dock-prep Public

   Pipeline converting PDB files to docking-ready PDBQT format

   Python 22 4

3. colbuilder colbuilder Public

   Forked from graeter-group/colbuilder

   Building collagen fibrils from amino acids sequences

   Python

4. CollagenBenchmark CollagenBenchmark Public

   GROMACS GPU benchmarks for a collagen microfibril: CG 1000 pN pull vs unforced CG/AA throughput on NVIDIA L40S

   Shell