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Characterizing pre-trained and task-adapted molecular representationsCelia CintasPayel Daset al.2023NeurIPS 2023
Growing strings in a chemical reaction space for searching retrosynthesis pathwaysFederico ZipoliCarlo Baldassariet al.2023ChemRxiv
Lab automation, data modeling, and AI agents for accelerated catalyst discoveryNathaniel ParkMatteo Manicaet al.2023ACS Fall 2023
Unifying Molecular and Textual Representations via Multi-task Language ModellingDimitrios ChristofidellisGiorgio Giannoneet al.2023ICML 2023
A new era of collaborative experimentation enabled by multi-cloud and AI foundation modelsPatrick RuchAlain Vaucheret al.2023Future Labs Live 2023
Unifying Molecular and Textual Representations via Multi-task Language ModellingDimitrios ChristofidellisGiorgio Giannoneet al.2023MRS Spring Meeting 2023
Growing Strings in a Chemical Reaction Space for Searching Retrosynthesis PathwaysFederico ZipoliCarlo Baldassariet al.2023MRS Spring Meeting 2023
Chemical representation learning for toxicity predictionJannis BornGreta Markertet al.2023Digital Discovery