Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2025
- NeurIPS 2025
Publications
10 results for Tiffany Callahan
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
Generative AI and Multi-Agent Systems for Polymer Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 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
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- Tiffany Callahan
- Kevin Cheng
- et al.
- 2025
- ACS Spring 2025
Agentic Mixture-of-Workflows for Multi-Modal Chemical Search
- Tiffany Callahan
- Nathaniel Park
- et al.
- 2025
- arXiv
A MACHINE LEARNING APPROACH FOR IDENTIFYING DETERMINANTS OF WNT PROTEIN-PROTEIN INTERACTIONS
- Tiffany Callahan
- Kevin Cheng
- et al.
- 2025
- BPS 2025
Foundation Models and Multi-Agent Systems for Polymer and Catalyst Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2024
- MRS Fall Meeting 2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2024
- arXiv
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2024
- ACS Fall 2024