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Drug Design

Papers

Showing 91100 of 440 papers

TitleStatusHype
Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic PlanningCode1
Geometric Representation Condition Improves Equivariant Molecule GenerationCode1
SynthFormer: Equivariant Pharmacophore-based Generation of Synthesizable Molecules for Ligand-Based Drug Design0
Enhancing Solution Efficiency in Reinforcement Learning: Leveraging Sub-GFlowNet and Entropy Integration0
Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches0
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling0
PepINVENT: Generative peptide design beyond the natural amino acids0
Self-Organizing Maps of Unbiased Ligand-Target Binding Pathways and Kinetics0
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug DesignCode1
GFlowNet Pretraining with Inexpensive Rewards0
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