Soares, Eduardo

15 publications

ICLRW 2025 A Foundation Model for Simulation-Grade Molecular Electron Densities Eduardo Soares, Dmitry Zubarev, Victor Yukio Shirasuna, Emilio Vital Brazil, Breno W S R Carvalho, Brandi Ransom, Holt Bui, Krystelle Lionti, Caio Rodrigues Gama, Daniel Djinishian de Briquez

ICLRW 2025 Representing Surfactants by Foundation Models Eduardo Soares, Zeynep Sumer, Emilio Vital Brazil, Dave Braines, Richard L Anderson

ICLRW 2025 SMI-TED: A Large-Scale Foundation Model for Materials and Chemistry Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

NeurIPSW 2024 A Large Encoder-Decoder Polymer-Based Foundation Model Eduardo Soares, Nathaniel Park, Emilio Vital Brazil, Victor Yukio Shirasuna

NeurIPSW 2024 A Large Encoder-Decoder Polymer-Based Foundation Model Eduardo Soares, Nathaniel Park, Emilio Vital Brazil, Victor Yukio Shirasuna

NeurIPSW 2024 A Mamba-Based Foundation Model for Chemistry Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

NeurIPSW 2024 A Mamba-Based Foundation Model for Chemistry Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

ICMLW 2024 A Multi-View Mixture-of-Experts Based on Language and Graphs for Molecular Properties Prediction Victor Yukio Shirasuna, Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Seiji Takeda, Akihiro Kishimoto

NeurIPSW 2024 Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks Victor Yukio Shirasuna, Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

NeurIPSW 2024 Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations Eduardo Soares, Indra Priyadarsini, Emilio Vital Brazil, Victor Yukio Shirasuna, Seiji Takeda

NeurIPSW 2024 Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations Eduardo Soares, Indra Priyadarsini, Emilio Vital Brazil, Victor Yukio Shirasuna, Seiji Takeda

NeurIPSW 2024 SELF-BART : A Transformer-Based Molecular Representation Model Using SELFIES Indra Priyadarsini, Seiji Takeda, Lisa Hamada, Emilio Vital Brazil, Eduardo Soares, Hajime Shinohara

NeurIPSW 2023 A Framework for Toxic PFAS Replacement Based on GFlowNet and Chemical Foundation Model Eduardo Soares, Flaviu Cipcigan, Dmitry Zubarev, Emilio Vital Brazil

NeurIPSW 2023 Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Daniel P Sanders, Kristin Schmidt, Dmitry Zubarev

NeurIPSW 2023 Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model Eduardo Soares, Vidushi Sharma, Emilio Vital Brazil, Renato Cerqueira, Young-Hye Na