Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global ChallengesKristin SchmidtEduardo Almeida Soareset al.2024MRS Fall Meeting 2024
MoLMamba: A Large State-Space-based Foundation Model for ChemistryEduardo Almeida SoaresVictor Shirasunaet al.2024ACS Fall 2024
Accessibility of Ring-closing depolymerization for polycarbonates with multiple theory validationBrandi RansomDmitry Zubarevet al.2024MRS Spring Meeting 2024
ChemChat | Conversational Expert Assistant in Material Science and Data VisualizationTim ErdmannStefan Zecevicet al.2024ACS Spring 2024
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacementEduardo Almeida SoaresFlaviu Cipciganet al.2024ACS Spring 2024
Accessibility of Ring-closing depolymerization for polycarbonates with multiple theory validationBrandi RansomDmitry Zubarevet al.2024APS March Meeting 2024
ChemChat | Conversational Expert Assistant in Material Science and Data VisualizationTim ErdmannStefan Zecevicet al.2024Humboldt Colloquium US 2024
Chemical Space Analysis and Property Prediction for Carbon Capture Amine moleculesJames McdonaghStamatia Zavitsanouet al.2024Digital Discovery
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation ModelEduardo Almeida SoaresFlaviu Cipciganet al.2023NeurIPS 2023
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property PredictionEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2023NeurIPS 2023