Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- 2025
- ACS Spring 2025
Publications
683 results for Foundation Models
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
Comparative 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
Study planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
Foundation models for materials discovery – current state and future directions
- Edward Pyzer-knapp
- Matteo Manica
- et al.
- 2025
- npj Computational Materials
Preparing Good Data for Generative AI: Challenges and Approaches (Good-Data)
- David Vazquez
- Laure Berti-equille
- et al.
- 2025
- AAAI 2025
Retention Score: Quantifying Jailbreak Risks for Vision Language Models
- Zhaitang Li
- Pin-Yu Chen
- et al.
- 2025
- AAAI 2025
Token Highlighter: Inspecting and Mitigating Jailbreak Prompts for Large Language Models
- Xiaomeng Xu
- Pin-Yu Chen
- et al.
- 2025
- AAAI 2025