xuhuihuang
The Huang Group at Department of Chemistry, University of Wisconsin-Madison
University of Wisconsin-MadisonMadison WI
Pinned Repositories
msmbuilder2022
Statistical models for biomolecular dynamics
EPISOL
featuredock
FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
GME_tutorials
Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.
graphvampnets
GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collective variables of the self-assembly processes.
IGME
Integrative Generalized Master Equation (IGME): A Theory to Study Long-timescale Biomolecular Dynamics via the Integrals of Memory Kernels
memnets
MEMnets identifies slow CVs of biomolecular dynamics by minimizing their time-integrated memory kernels.
ts-dar
TS-DAR identifies transition states of protein conformational changes from MD simulations using hyperspherical embeddings in the latent space.
xuhuihuang's Repositories
xuhuihuang/GME_tutorials
Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.
xuhuihuang/featuredock
FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
xuhuihuang/graphvampnets
GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collective variables of the self-assembly processes.
xuhuihuang/ts-dar
TS-DAR identifies transition states of protein conformational changes from MD simulations using hyperspherical embeddings in the latent space.
xuhuihuang/IGME
Integrative Generalized Master Equation (IGME): A Theory to Study Long-timescale Biomolecular Dynamics via the Integrals of Memory Kernels
xuhuihuang/memnets
MEMnets identifies slow CVs of biomolecular dynamics by minimizing their time-integrated memory kernels.
xuhuihuang/EPISOL