Pinned Repositories
colvars
Collective variables module for molecular simulation and analysis programs
colvars-finder
A package to find collective variables of dynamical systems by training neural networks
colvars_sde
Constrained-HMC
Hybrid Monte Carlo sampler on submanifolds
EigenPDE-NN
An Eigenvalue PDE Solver by Neural Networks
learning-with-constraints
molann
PyTorch artificial neural network classes for molecular systems
sampling-on-levelset
A SDE-based Monte Carlo sampling scheme on submanifolds
sparse-learning-CRN
Data-based sparsity learning of chemical reaction networks
torchann-plumed
Torch artificial neural network function for plumed2
zwpku's Repositories
zwpku/EigenPDE-NN
An Eigenvalue PDE Solver by Neural Networks
zwpku/colvars-finder
A package to find collective variables of dynamical systems by training neural networks
zwpku/Constrained-HMC
Hybrid Monte Carlo sampler on submanifolds
zwpku/sparse-learning-CRN
Data-based sparsity learning of chemical reaction networks
zwpku/sampling-on-levelset
A SDE-based Monte Carlo sampling scheme on submanifolds
zwpku/torchann-plumed
Torch artificial neural network function for plumed2
zwpku/colvars
Collective variables module for molecular simulation and analysis programs
zwpku/colvars_sde
zwpku/learning-with-constraints
zwpku/molann
PyTorch artificial neural network classes for molecular systems
zwpku/vmd-patches
Patches for bugfixes or improvements to the VMD package