Pinned Repositories
colvars
Collective variables module for molecular simulation and analysis programs
debyer
Debye's scattering equation & other analysis of atomistic models.
DFTBP
LAMMPS code for DFTB+
DFTBparaopt
DFTB parameter optimization tools
dftbplus
DFTB+ general package for performing fast atomistic simulations
lammps
Public development project of the LAMMPS MD software package
LammpsANI
LMPTorch
The codes allow LAMMPS communicate with python codes
Low2High
PolyGraphene
Generation of polycrystalline graphene models
gsjung0419's Repositories
gsjung0419/PolyGraphene
Generation of polycrystalline graphene models
gsjung0419/DFTBP
LAMMPS code for DFTB+
gsjung0419/LammpsANI
gsjung0419/colvars
Collective variables module for molecular simulation and analysis programs
gsjung0419/debyer
Debye's scattering equation & other analysis of atomistic models.
gsjung0419/DFTBparaopt
DFTB parameter optimization tools
gsjung0419/dftbplus
DFTB+ general package for performing fast atomistic simulations
gsjung0419/lammps
Public development project of the LAMMPS MD software package
gsjung0419/LMPTorch
The codes allow LAMMPS communicate with python codes
gsjung0419/Low2High
gsjung0419/MolGAN
Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs
gsjung0419/MolGAN-pytorch
Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
gsjung0419/moose
Multiphysics Object Oriented Simulation Environment
gsjung0419/OpenFOAM-7
OpenFOAM Foundation repository for OpenFOAM version 7
gsjung0419/phaseField
PRISMS-PF: An Open-Source Phase-Field Modeling Framework
gsjung0419/phono3py
A simulation package of phonon-phonon interaction related properties
gsjung0419/phonopy
Phonon code
gsjung0419/practical-pytorch
PyTorch tutorials demonstrating modern techniques with readable code
gsjung0419/q-e
Mirror of the Quantum ESPRESSO repository
gsjung0419/torchani_gs
Accurate Neural Network Potential on PyTorch
gsjung0419/TorchANITutorials
Colab Tutorial for TorchANI Training