Heterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025
Publications
26 results at ACS Spring 2025
Open-source large-scale foundation model for chemistry
- 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
Constructing an open database of barrier heights for diverse elementary organic reactions
- 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
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- 2025
- ACS Spring 2025