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Drug Design

Papers

Showing 7180 of 440 papers

TitleStatusHype
Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial SpacesCode1
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug DesignCode1
Exploiting Pretrained Biochemical Language Models for Targeted Drug DesignCode1
Geometric Representation Condition Improves Equivariant Molecule GenerationCode1
DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning FeedbackCode1
DOCKSTRING: easy molecular docking yields better benchmarks for ligand designCode1
Artificial Intelligence in Drug Discovery: Applications and TechniquesCode1
General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug DesignCode1
Accelerating Bayesian Optimization for Biological Sequence Design with Denoising AutoencodersCode1
Drug–target affinity prediction using graph neural network and contact mapsCode1
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