Lab

BorgwardtLab

A Max Planck research group building machine learning methods that mine large biomedical datasets for patterns linking molecules to function.

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1 model

Models (1)

AutoGraph

Max Planck Institute of Biochemistry / BorgwardtLab

Released February 4, 2025

Autoregressive graph generator that flattens molecules into token sequences, letting a decoder-only transformer sample valid structures in one pass.

Small molecule