Advancing Molecular Property Prediction through Multi-view Latent Space FusionEduardo Almeida SoaresAkihiro Kishimotoet al.2024ACS Spring 2024
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacementEduardo Almeida SoaresFlaviu Cipciganet al.2024ACS Spring 2024
A Multi-View approach based on Graphs and Chemical Language Foundation Model for Molecular Properties PredictionEduardo Almeida SoaresAkihiro Kishimotoet al.2024AAAI 2024
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property PredictionEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2023NeurIPS 2023
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation ModelEduardo Almeida SoaresFlaviu Cipciganet al.2023NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language ModelEduardo Almeida SoaresVidushi Sharmaet al.2023NeurIPS 2023
ShapeGraMM: On the fly procedural generation of massive models for real-time visualizationWallas H.S. SantosEmilio Vital Brazilet al.2023Computers and Graphics (Pergamon)
Predictive Supremacy of Chemical Foundational Model for Battery ElectrolytesVidushi SharmaEduardo Almeida Soareset al.2023MRS Fall Meeting 2023
An AI-assisted Workbench for Material DiscoveryEmilio Ashton Vital BrazilRenato Fontoura de Gusmao Cerqueiraet al.2023ACS Fall 2023
Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature SelectionEduardo Almeida SoaresKaren Fiorella Aquino Gutierrezet al.2023ACS Fall 2023