GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- Carlos Raoni De Alencar Mendes
- Leonardo Noia Nanci de Araujo Silva
- et al.
- 2025
- ACS Spring 2025
Publications
12 results for Victor Shirasuna
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- Victor Shirasuna
- Eduardo Almeida Soares
- et al.
- 2024
- NeurIPS 2024
Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations
- Eduardo Almeida Soares
- Indra Priyadarsini S
- et al.
- 2024
- NeurIPS 2024
A Mamba-Based Foundation Model for Chemistry
- Emilio Ashton Vital Brazil
- Eduardo Almeida Soares
- et al.
- 2024
- NeurIPS 2024
A Large Encoder-Decoder Polymer-Based Foundation Model
- Eduardo Almeida Soares
- Nathaniel Park
- et al.
- 2024
- NeurIPS 2024
Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global Challenges
- Kristin Schmidt
- Eduardo Almeida Soares
- et al.
- 2024
- MRS Fall Meeting 2024
Foundation Models and Multi-Agent Systems for Polymer and Catalyst Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2024
- MRS Fall Meeting 2024
ALCHIMIA - Advanced Learning for Chemistry Interpretation and Integrated Molecule Analysis
- Emilio Ashton Vital Brazil
- Eduardo Almeida Soares
- et al.
- 2024
- MRS Fall Meeting 2024
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2024
- ACS Fall 2024
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
- Victor Shirasuna
- Eduardo Almeida Soares
- et al.
- 2024
- ICML 2024