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Ahmed A. A. Elhag

2 accepted papers

2024

Swallowing the Bitter Pill: Simplified Scalable Conformer Generation

ICML 2024poster

We present a novel way to predict molecular conformers through a simple formulation that sidesteps many of the heuristics of prior works and achieves state of the art results by using the advantages of scale. By training a diffusion generative model directly on 3D atomic positions without making ass…

Cited by 17SourcePDFScholar