A Foundation Model for Simulation-Grade Molecular Electron Densities
- Eduardo Almeida Soares
- Dmitry Zubarev
- et al.
- 2025
- ICLR 2025
Publications
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11 results for Krystelle Lionti
Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- Tim Erdmann
- Holt Bui
- 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
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- 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
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- Viviane T. Silva
- Alexandre Rademaker
- et al.
- 2024
- NeurIPS 2024
ChemChat—Recent Advances in Democratizing and Facilitating Access to Domain-Specific AI/ML Through LLM-Powered Conversational Assistants
- 2024
- MRS Fall Meeting 2024
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- 2024
- ACS Spring 2024
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- 2024
- Humboldt Colloquium US 2024
Interfacial Bonding and Thermal Conductivity in Polymer-Glass Nanocomposites with Ultra-High Interfacial Density
- David Collinson
- Yang Wang
- et al.
- 2023
- MRS Spring Meeting 2023