WangXinyan940's starred repositories
awesome-resume-for-chinese
:page_facing_up: 适合中文的简历模板收集(LaTeX,HTML/JS and so on)由 @hoochanlon 维护
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
normalizing-flows
PyTorch implementation of normalizing flow models
openmm-torch
OpenMM plugin to define forces with neural networks
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
openmm-atmmetaforce-plugin
An OpenMM plugin that implements the Alchemical Transfer Potential
PLUMED2_ITS
The integrated tempering sampling as a bias in PLUMED2
openmm_gamd
Gaussian accelerated Molecular Dynamics in OpenMM
camcasp-bin
CamCASP binary repo
MPIDOpenMMPlugin
OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.
geometricCVs_OpenMM
Geometric CVs are implemented as OpenMM force plugin
openmm_drudeNose
Dual Nose-Hoover thermostat with extended Lagrangian integration for drude polarizable MD in OpenMM
smiles-parser
SMILES parser implemented by python