Publications

88 results for Emilio Ashton Vital Brazil

Emergent Pose-Invariance in 3D Molecular Representations via Multimodal Learning
- - Eduardo Almeida Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- NeurIPS 2025
Token-Level Early Fusion Model Bridging Text and 3D Electron Density Grids in Chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- NeurIPS 2025
Foundation Models Enabling Multi-Scale Battery Materials Discovery: From Molecules To Devices
- - Vidushi Sharma
  - Andy Tek
  - et al.
- 2025
- NeurIPS 2025
From Descriptions to Chemical Hazards: Predicting Persistence, Bioaccumulation, and Toxicity from Natural Language Using LLMs
- - Sarath Swaminathan
  - Nathaniel Park
  - et al.
- 2025
- NeurIPS 2025
A Large Multimodal Molecular Representation Encoder-Decoder Foundation Model for Chemistry
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- NeurIPS 2025
Emergent SO(3)-Invariant Molecular Representations from Multimodal Alignment
- - Eduardo Almeida Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- NeurIPS 2025
Scientific research with AI co-participation in chemistry: Prompt engineering and AI ethical challenges in the scientific discovery process
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2025
- ACS Fall 2025
Leveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Fall 2025
An open-source family of large encoder-decoder foundation models for chemistry
- - Eduardo Soares
  - Emilio Vital Brazil
  - et al.
- 2025
- Communications Chemistry
Multi-View Mixture-of-Experts for predicting molecular properties using SMILES, SELFIES, and graph-based representations
- - Eduardo Almeida Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- Machine Learning: Science and Tech.