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Jiujiu Chen

2 accepted papers

2023

Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion

NeurIPS 2023poster

Recently, artificial intelligence for drug discovery has raised increasing interest in both machine learning and chemistry domains. The fundamental building block for drug discovery is molecule geometry and thus, the molecule's geometrical representation is the main bottleneck to better utilize mach…

Cited by 11SourcePDFScholar