Mol-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
Talk
Publications
26858 results for Science
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- 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
TalkPFACTS: Faster solutions for forever chemicals
- Dan Sanders
- Brandi Ransom
- et al.
- 2025
- ACS Spring 2025
TalkComparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- Viviane T. Silva
- Anaximandro Souza
- et al.
- 2025
- ACS Spring 2025
TalkGMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- Carlos Raoni De Alencar Mendes
- Leonardo Noia Nanci de Araujo Silva
- 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
TalkUncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
PosterStudy planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
PosterIntegrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- Tiffany Callahan
- Kevin Cheng
- et al.
- 2025
- ACS Spring 2025
Poster