qshao's repositories
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
Language:C++LGPL-3.0000
CC-BY-4.0000
ChemTS
Molecule Design using Monte Carlo Tree Search with Neural Rollout
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martinize.py
Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
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Language:C++NOASSERTION000
Dynamo-1
Visual Programming
Language:C#NOASSERTION000
espresso
The ESPResSo package
Language:C++GPL-3.0000
iDynoMiCS
Individual-based Dynamics of Microbial Communities Simulator
Language:HTMLNOASSERTION000
AnalyzeToolsforMD
They are the analysis tools for MD simulation.