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
842 results for Foundation Models
Modeling electron density grids using a 3D VQ-GAN approach
- Dmitry Zubarev
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
TalkOpen-source large-scale foundation model for chemistry
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 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
TalkNatural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- Tim Erdmann
- Holt Bui
- 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
TalkStudy planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
PosterLossy Neural Compression for Geospatial Analytics: A Review
- Carlos Miguel Pina Vaz Gomes
- Isabelle Wittmann
- et al.
- 2025
- Ieee Geoscience And Remote Sensing Magazine
PaperFoundation models for materials discovery – current state and future directions
- Edward O. Pyzer-Knapp
- Matteo Manica
- et al.
- 2025
- npj Computational Materials
ReviewPreparing Good Data for Generative AI: Challenges and Approaches (Good-Data)
- David Vazquez
- Laure Berti-equille
- et al.
- 2025
- AAAI 2025
Workshop