The origins of life are steeped in mystery, but the AI revolution could transform this field. Here, the authors use AI-based protein design software to uncover a broad range of protein folds that can be formed from small, primordial amino acid libraries constrained by asteroid and prebiotic chemistry data.

This work introduces the Runs N’ Poses dataset for benchmarking deep learning methods on the protein–ligand complex prediction task. It shows that current methods rely on memorization, challenging the...

Petr Daněček David Hoksza Marian Novotný

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