Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Publications
45 results for Eduardo Almeida Soares
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- AAAI 2025
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- Victor Shirasuna
- 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
SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
- 2024
- NeurIPS 2024
A Mamba-Based Foundation Model for Chemistry
- Emilio Ashton Vital Brazil
- 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
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
An Open Multi-Modal Foundation Model for Materials and Chemistry
- 2024
- MRS Fall Meeting 2024