jing-huang

Westlake UniversityHangzhou, Zhejiang, China

Pinned Repositories

CMAPoptimizer
Monte Carlo simulated annealing to optimize the CMAP potentials in molecular mechanics force fields with reweighting calculation
Language:Python33
Drude2MPID
A converter to automatically map Drude topology files into MPID ones.
Language:Python22
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++11
AFEXplorer
Language:Python164
SWIT
Language:Python10 4 05
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1.5k 83 2.8k524

jing-huang's Repositories

jing-huang/CMAPoptimizer
Monte Carlo simulated annealing to optimize the CMAP potentials in molecular mechanics force fields with reweighting calculation
Language:Python33
jing-huang/Drude2MPID
A converter to automatically map Drude topology files into MPID ones.
Language:Python22
jing-huang/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++11