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Drug Design

Papers

Showing 1120 of 440 papers

TitleStatusHype
A Systematic Survey of Chemical Pre-trained ModelsCode2
Hopfield Networks is All You NeedCode2
Mamba-360: Survey of State Space Models as Transformer Alternative for Long Sequence Modelling: Methods, Applications, and ChallengesCode2
Efficient Evolutionary Search Over Chemical Space with Large Language ModelsCode2
Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and ElaborationCode2
Compositional Flows for 3D Molecule and Synthesis Pathway Co-designCode2
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity PredictionCode2
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug DesignCode2
A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein GenerationCode2
A 3D Generative Model for Structure-Based Drug DesignCode2
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