chemAI

Reflections on 2024 Bio-ML Predictions: Generative Chemistry and Molecular Dynamics Challenges

The article reflects on the author's 2024 predictions about bio-ML (biological machine learning) from a 2026 perspective, focusing on genera

De novo design of DNA origami with a generative diffusion model

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform

De novo design of peptides localizing at the interface of biomolecular condensates

Une IA hors contrôle aux confins du système solaire

Modular synthesis: How chemists are designing molecules with function-first approaches

This article explores how chemists are shifting from traditional synthetic methods toward modular, function-first approaches to molecular de