Multimodal foundation model for aligning smiles representations with DFT electron density grids
- Emilio Ashton Vital Brazil
- Eduardo Almeida Soares
- et al.
- 2025
- ACS Spring 2025
Talk
Publications
26944 results for Science
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- Nathaniel Park
- James Hedrick
- 2025
- ACS Spring 2025
TalkUncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- Emilio Ashton Vital Brazil
- Priscilla Barreira Avegliano
- et al.
- 2025
- ACS Spring 2025
TalkML-Guided Engineering to Enhance Cell-Organelle Capacity for Multi-Enzyme Pathway Compartmentalization
- Jie Shi
- Jordan Baker
- et al.
- 2025
- ACS Spring 2025
TalkMitigating AI ethical issues in scientific process by supporting knowledge triangulation and AI limitation awareness
- Juliana Jansen Ferreira
- Vinicius Segura
- et al.
- 2025
- ACS Spring 2025
TalkPhysics-informed categorization of data modalities used in AI-assisted drug discovery
- 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
TalkHeterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025
TalkAutomated tools for FAIRness assessment considering Chemical Digital Objects
- Leonardo Guerreiro Azevedo
- Viviane T. Silva
- et al.
- 2025
- ACS Spring 2025
TalkSample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- Mario Motta
- 2025
- ACS Spring 2025
Talk