Lessons learned in Knowledge Extraction from Unstructured Data with LLMs for Material DiscoveryViviane T. SilvaJoão Pedro Gandarela de Souzaet al.2024ACS Spring 2024
Unifying Molecular and Textual Representations via Multi-task Language ModellingDimitrios ChristofidellisGiorgio Giannoneet al.2023MRS Spring Meeting 2023
Enzyme optimization via a generative language modeling-based evolutionary algorithmYves Gaetan Nana TeukamFrancesca Grisoniet al.2023ACS Spring 2023
Unifying Molecular and Textual Representations via Multi-task Language ModellingDimitrios ChristofidellisGiorgio Giannoneet al.2023ACS Spring 2023
Standardization of chemical compounds using language modelingMiruna CretuAlessandra Toniatoet al.2023ACS Spring 2023
Automatic, physical data extraction from scientific publications for application to generative molecular design in computational materials discoveryRonaldo GiroMohab Elkarefet al.2023APS March Meeting 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022MRS Fall Meeting 2022
Identification of enzymatic active sites with unsupervised language modellingLoic Kwate DassiMatteo Manicaet al.2022ACS Fall 2022