Published October 12, 2021
| Version 0.0.2
Software
Open
Single- and Multi-Fidelity Models for Predicting Molecular Optical Properties
Authors/Creators
- 1. Massachusetts Institute of Technology Department of Chemical Engineering
- 2. Massachusetts Institute of Technology Department of Materials Science and Engineering
Description
Chemprop models for predicting UVVis optical properties from molecular structure
Files
Files
(651.0 MB)
| Name | Size | Download all |
|---|---|---|
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md5:40aebbc8bffc285cb601f741fcffb7b4
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651.0 MB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1039/D1SC05677H (DOI)
- Preprint: 10.33774/chemrxiv-2021-6d2bp (DOI)
- Software: 10.5281/zenodo.5573124 (DOI)
Funding
- U.S. National Science Foundation
- Graduate Research Fellowship Program (GRFP) 1745302