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
Foundation Models and Multi-Agent Systems for Polymer and Catalyst DesignNathaniel ParkTiffany Callahanet al.2024MRS Fall Meeting 2024
ALCHIMIA - Advanced Learning for Chemistry Interpretation and Integrated Molecule AnalysisEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2024MRS Fall Meeting 2024
Expanded Dataset for Improved Prediction of Chemical BiodegradabilityEduardo Almeida SoaresVictor Shirasunaet al.2023ACS Fall 2023
A Large Encoder-Decoder Polymer-Based Foundation ModelEduardo Almeida SoaresNathaniel Parket al.2024NeurIPS 2024
A Mamba-Based Foundation Model for ChemistryEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2024NeurIPS 2024
Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based RepresentationsEduardo Almeida SoaresIndra Priyadarsini Set al.2024NeurIPS 2024
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
A Multi-View approach based on Graphs and Chemical Language Foundation Model for Molecular Properties PredictionEduardo Almeida SoaresAkihiro Kishimotoet al.2024AAAI 2024