ConforFormer: representation for molecules through understanding of conformers
Abstract
ConforFormer learns to align conformers while separating isomers, producing compact 3D molecular embeddings transferable across property prediction and similarity search tasks.
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Graph Neural Networks
Computational Drug Discovery Methods
Publication details
- Journal / source
- Digital Discovery
- Volume
- 5
- Issue
- 6
- Pages
- 2639–2649
- Publication date
- 1 January 2026
- Language
- EN