helloyesterday Goto Github PK
Name: Yi Isaac Yang
Type: User
Company: Shenzhen Bay Laboratory
Bio: Research Associate Professor at Shenzhen Bay Laboratory
Location: Shenzhen, Guangdong, China
Yi Isaac Yang's Projects
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
Development version of plumed 2
plumed2_alaine3
The modified version of PLUMED2 used in the research of Alaine-3 including the VES with c(t), alphabeta2 and TICA.
plumed2_chemical_reaction
some modification of PLUMED2 for chemical reaction
plumed2_hlda
The HLDA in PLUMED2
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_talos_maincode
Maincode of TALOS in PLUMED2
plumed2_tica
The time-lagged independent component analysis (TICA) method in PLUMED2
plumed2_ves_with_reweight_factor
A modified VES method in PLUMED include the calculation of reweight factor
plumed_its_test
New testing verision of ITS
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/)
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