Open-source large-scale foundation model for chemistry
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Talk
Publications
91 results for Emilio Ashton Vital Brazil
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
TalkMol-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
TalkMultimodal foundation model for aligning smiles representations with DFT electron density grids
- Emilio Ashton Vital Brazil
- Eduardo Almeida Soares
- et al.
- 2025
- ACS Spring 2025
TalkModeling electron density grids using a 3D VQ-GAN approach
- Dmitry Zubarev
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
TalkGenerative AI and Multi-Agent Systems for Polymer Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2025
- ACS Spring 2025
TalkStudy planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
PosterUncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
PosterUncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- AAAI 2025
Workshop paperCausality-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
Paper