marcellocostamagna/3DOpt: Paper release: 3DOpt (v1.0.0)
Abstract
This release accompanies the publication of the 3DOpt manuscript: 3DOpt: Benchmark for Automated Design of 3D Molecular Structures Across the Periodic Table
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Chemical Physics Studies
Computational Drug Discovery Methods
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 26 January 2026