Yueming-Yin

GeoLDM

Geometric Latent Diffusion Models for 3D Molecule Generation

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

AFSE

Reproducing of the paper entitled "AFSE: towards improving model generalization of deep graph learning of ligand bioactivities targeting GPCR proteins"

DTIGN-SI

Supporting Information of paper entitiled "Advancing Bioactivity Prediction through Molecular Docking and Self-Attention: The Drug-Target Interaction Graph Neural Network (DTIGN)"

GAFSE

An open unified deep graph learning framework for discovering drug leads

I-UAN

Code release for Pseudo-Margin-Based Universal Domain Adaptation (Knowledge-Based Systems)

MLA-DA

Code release for Metric-Learning-Assisted Domain Adaptation (Neurocomputing)

OLB-AC

RealVS

Reproducing of the paper entitled "RealVS: Towards Enhancing the Precision of Top Hits in Ligand-Based Virtual Screening of Drug Leads from Large Compound Databases" (Journal of Chemical Information and Modeling)

UMAN

Code release for Universal Multi-Source Domain Adaptation for Image Classification (Pattern Recognition)

Yueming-Yin/UMAN

Code release for Universal Multi-Source Domain Adaptation for Image Classification (Pattern Recognition)

Yueming-Yin/I-UAN

Code release for Pseudo-Margin-Based Universal Domain Adaptation (Knowledge-Based Systems)

Yueming-Yin/GAFSE

An open unified deep graph learning framework for discovering drug leads

Yueming-Yin/MLA-DA

Code release for Metric-Learning-Assisted Domain Adaptation (Neurocomputing)

Yueming-Yin/RealVS

Reproducing of the paper entitled "RealVS: Towards Enhancing the Precision of Top Hits in Ligand-Based Virtual Screening of Drug Leads from Large Compound Databases" (Journal of Chemical Information and Modeling)

Yueming-Yin/AFSE

Reproducing of the paper entitled "AFSE: towards improving model generalization of deep graph learning of ligand bioactivities targeting GPCR proteins"

Yueming-Yin/DTIGN-SI

Supporting Information of paper entitiled "Advancing Bioactivity Prediction through Molecular Docking and Self-Attention: The Drug-Target Interaction Graph Neural Network (DTIGN)"

Yueming-Yin/OLB-AC