Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- Emilio Ashton Vital Brazil
- Priscilla Barreira Avegliano
- et al.
- 2025
- ACS Spring 2025
Publications
Date
Featured collections
- ACS Spring 2025
Popular topics
27 results at ACS Spring 2025
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- 2025
- ACS Spring 2025
Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- Tim Erdmann
- Holt Bui
- 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
- 2025
- ACS Spring 2025
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- 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
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
Automated tools for FAIRness assessment considering Chemical Digital Objects
- 2025
- ACS Spring 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
Physics-informed categorization of data modalities used in AI-assisted drug discovery
- 2025
- ACS Spring 2025