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
Publications
43 results for Eduardo Almeida Soares
From Descriptions to Chemical Hazards: Predicting Persistence, Bioaccumulation, and Toxicity from Natural Language Using LLMs
- 2025
- NeurIPS 2025
Foundation Models Enabling Multi-Scale Battery Materials Discovery: From Molecules To Devices
- Vidushi Sharma
- Andy Tek
- 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
A Large Multimodal Molecular Representation Encoder-Decoder Foundation Model for Chemistry
- Victor Yukio Shirasuna
- Emilio Ashton Vital Brazil
- et al.
- 2025
- NeurIPS 2025
Emergent Pose-Invariance in 3D Molecular Representations via Multimodal Learning
- Eduardo Almeida Soares
- Victor Yukio Shirasuna
- et al.
- 2025
- NeurIPS 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
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.
A Mamba-Based Foundation Model for Materials
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2025
- NPJ AI
A Foundation Model for Simulation-Grade Molecular Electron Densities
- Eduardo Almeida Soares
- Dmitry Zubarev
- et al.
- 2025
- ICLR 2025