Publications

26421 results for Science

PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - 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
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2025
- ACS Spring 2025
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- - Nathaniel Park
  - James Hedrick
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- - Tim Erdmann
  - Holt Bui
  - et al.
- 2025
- ACS Spring 2025
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- 2025
- ACS Spring 2025
Heterogeneous Multitask Learning Across the Chemical Space
- - Thiago Reschutzegger
  - Yann Amado
  - et al.
- 2025
- ACS Spring 2025
Automated tools for FAIRness assessment considering Chemical Digital Objects
- - Leonardo Guerreiro Azevedo
  - Viviane T. Silva
  - et al.
- 2025
- ACS Spring 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025