drug-target-interactions topic

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

kexinhuang12345

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

cansyl

Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

AstraZeneca

Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.

n-szulc

Targeted and non-targeted anticancer drugs and drug regimens

sigven

Official implementation of DrugGEN

HUBioDataLab

Drug-Drug Interaction Predicting by Neural Network Using Integrated Similarity

nrohani

An official Molecule Transformer Drug Target Interaction (MT-DTI) model

deargen

HyperPCM: Robust task-conditioned modeling of drug-target interactions

ml-jku

A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern structural affinities in drug-target pairs.

Lzcstan