Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature SelectionEduardo Almeida SoaresKaren Fiorella Aquino Gutierrezet al.2023ACS Fall 2023
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream TasksVictor ShirasunaEduardo Almeida Soareset al.2024NeurIPS 2024
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties PredictionVictor ShirasunaEduardo Almeida Soareset al.2024ICML 2024
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property PredictionEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2023NeurIPS 2023
Integrating Chemical Language and Physicochemical Features for Enhanced Molecular Property Prediction with Multimodal Language ModelsEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2023KDD 2023