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Kexin Huang's Projects

caster icon caster

CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)

chemprop icon chemprop

Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

clinicalbert icon clinicalbert

ClinicalBERT: Modeling Clinical Notes and Predicting Hospital Readmission (CHIL 2020 Workshop)

deeppurpose icon deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

drug-bert icon drug-bert

Drug-BERT: Pre-training Drug Sub-structure Representation for Molecular Property Prediction

espf icon espf

Explainable Substructure Partition Fingerprint for Protein, Drug, and More (NeurIPS 19 LMRL Workshop)

gnnpapers icon gnnpapers

Must-read papers on graph neural networks (GNN)

hub-docs icon hub-docs

Frontend components, documentation and information hosted on the Hugging Face website.

logd74 icon logd74

A high-quality hand-curated logD7.4 dataset of 1,130 compounds

moldesigner-public icon moldesigner-public

MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)

moltrans icon moltrans

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

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