An Open Multi-Modal Foundation Model for Materials and ChemistrySeiji TakedaIndra Priyadarsini Set al.2024MRS Fall Meeting 2024
Machine Guided Discovery of Novel Carbon Capture SolventsTheodore Van KesselFlaviu Cipciganet al.2023ACS Fall 2023
AI Toolkit for Accelerated Nanoporous Material DiscoveryJonathan BoothDaniel Cunningtonet al.2022MRS Fall Meeting 2022
Computational and experimental design of solvents for CO2 capture Flaviu CipciganJames McDonaghet al.2021ACS Fall 2021
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacementEduardo Almeida SoaresFlaviu Cipciganet al.2024ACS Spring 2024
NLPeople at L+M-24 Shared Task: An Ensembled Approach for Molecule Captioning from SMILESShinnosuke TanakaCarol Maket al.2024ACL 2024
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation ModelEduardo Almeida SoaresFlaviu Cipciganet al.2023NeurIPS 2023
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNetsFlaviu CipciganJonathan Boothet al.2023NeurIPS 2023
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulationsPayel DasTom Sercuet al.2021Nature Biomedical Engineering