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Drug Design

Papers

Showing 91100 of 440 papers

TitleStatusHype
HiGNN: Hierarchical Informative Graph Neural Networks for Molecular Property Prediction Equipped with Feature-Wise AttentionCode1
Modeling PROTAC Degradation Activity with Machine LearningCode1
Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic CandidatesCode1
Molecular Contrastive Learning with Chemical Element Knowledge GraphCode1
Exploiting Pretrained Biochemical Language Models for Targeted Drug DesignCode1
Endowing Protein Language Models with Structural KnowledgeCode1
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug DesignCode1
BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug DesignCode1
DOCKSTRING: easy molecular docking yields better benchmarks for ligand designCode1
DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning FeedbackCode1
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