Open-source large-scale foundation model for chemistry
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Publications
90 results for Emilio Ashton Vital Brazil
Generative AI and Multi-Agent Systems for Polymer Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2025
- ACS Spring 2025
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
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- Victor Yukio Shirasuna
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Modeling electron density grids using a 3D VQ-GAN approach
- Dmitry Zubarev
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Study planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- AAAI 2025
Causality-driven feature selection and domain adaptation for enhancing chemical foundation models in downstream tasks
- Eduardo Soares
- Victor Yukio Shirasuna
- et al.
- 2025
- Machine Learning Science and Technology
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