helloyesterday
Research Associate Professor at Shenzhen Bay Laboratory
Shenzhen Bay LaboratoryShenzhen, Guangdong, China
Pinned Repositories
AirNet
A new GNN-based deep molecular model by Mindspore
Cybertroncode
Cybertroncode for GNN-Based deep molecular model by MindSpore
dynet
DyNet: The Dynamic Neural Network Toolkit
plumed2_improve
Some modification of PLUMED2
PLUMED2_ITS
The integrated tempering sampling as a bias in PLUMED2
plumed2_its_full
The full version of PLUMED2 with the function of ITS
plumed2_neural_network
Neural netwrok in PLUMED2
plumed2_TALOS_full
The modified version of PLUMED2 included targeted adversarial learning optimizied sampling (TALOS)
PLUMED2_TICA
The time-lagged independent component analysis (TICA) method in PLUMED2
VMD-h5mdplugin
This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5md/)
helloyesterday's Repositories
helloyesterday/PLUMED2_ITS
The integrated tempering sampling as a bias in PLUMED2
helloyesterday/plumed2_its_full
The full version of PLUMED2 with the function of ITS
helloyesterday/AirNet
A new GNN-based deep molecular model by Mindspore
helloyesterday/plumed2_TALOS_full
The modified version of PLUMED2 included targeted adversarial learning optimizied sampling (TALOS)
helloyesterday/plumed2_improve
Some modification of PLUMED2
helloyesterday/plumed2_neural_network
Neural netwrok in PLUMED2
helloyesterday/PLUMED2_TICA
The time-lagged independent component analysis (TICA) method in PLUMED2
helloyesterday/VMD-h5mdplugin
This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5md/)
helloyesterday/Cybertroncode
Cybertroncode for GNN-Based deep molecular model by MindSpore
helloyesterday/dynet
DyNet: The Dynamic Neural Network Toolkit
helloyesterday/plumed2
Development version of plumed 2
helloyesterday/plumed2_alaine3
The modified version of PLUMED2 used in the research of Alaine-3 including the VES with c(t), alphabeta2 and TICA.
helloyesterday/plumed2_chemical_reaction
some modification of PLUMED2 for chemical reaction
helloyesterday/plumed2_HLDA
The HLDA in PLUMED2
helloyesterday/plumed2_TALOS_maincode
Maincode of TALOS in PLUMED2
helloyesterday/PLUMED2_VES_with_reweight_factor
A modified VES method in PLUMED include the calculation of reweight factor
helloyesterday/PLUMED_ITS_TEST
New testing verision of ITS