Songyosk/UVVIS
Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks
This project helps chemists and materials scientists predict the peak optical absorption wavelength of molecules. By providing the SMILES representation of a chemical molecule and its solvent, the tool outputs an estimated peak absorption wavelength. This is useful for researchers working on designing new materials or understanding molecular properties without extensive lab work.
No commits in the last 6 months.
Use this if you need to quickly estimate the peak optical absorption wavelength for novel or hypothetical molecules based on their chemical structure.
Not ideal if you require highly precise, experimentally validated absorption data for regulatory or critical application purposes.
Stars
14
Forks
2
Language
Python
License
MIT
Category
Last pushed
Sep 02, 2024
Commits (30d)
0
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