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Qiao, Z., Nie, W., Vahdat, A. et al. State-specific protein–ligand complex structure prediction with a multiscale deep generative model.
Qiao, Z., Nie, W., Vahdat, A. et al. State-specific protein–ligand complex structure prediction with a multiscale deep generative model.
AI tools such as ChatGPT can provide responses to queries on any topic, but can such large language models accurately ‘write’ molecules as output to our specification? Results now show that models trained on general text can be tweaked with small amounts of chemical data to predict molecular properties, or to design molecules based on a target feature.