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Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery.

Data and Resources

Cite this as

Siyi Gu, Minkai Xu, Alexander Powers, Weili Nie, Tomas Geffner, Karsten Kreis, Jure Leskovec, Arash Vahdat, Stefano Ermon (2024). Dataset: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization. https://doi.org/10.57702/pd078di3

DOI retrieved: December 16, 2024

Additional Info

Field Value
Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.48550/arXiv.2407.01648
Author Siyi Gu
More Authors
Minkai Xu
Alexander Powers
Weili Nie
Tomas Geffner
Karsten Kreis
Jure Leskovec
Arash Vahdat
Stefano Ermon