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JH Gu's Tech Blog

Machine Learning researcher for Drug Discovery. This blog is written in both English & Korean.

Useful Resources for Molecule Learning (in Progress)

Research (Application) ICLR

DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Graph Representation Learning for Drug Discovery

Research (Technical) LoG

Neighborhood-aware Scalable Temporal Network Representation Learning

Research (Technical) LoG

A Generalist Neural Algorithmic Learner

Research (Technical) NeurIPS

Does GNN Pre-training Help Molecular Representation?

Research (Technical) NeurIPS

Graph Self-supervised Learning with Accurate Discrepancy Learning

Research (Technical) NeurIPS

PhysChem: Deep Molecular Representation Learning via Fusing Physical and Chemical Information

Research (Application) Oncogene

CMap based Drug Repositioning of BTZ to reverse the metastatic effect of GALNT14 in lung cancer

Research (Technical) ICLR

Few-shot Learning with Graph Neural Networks