/tools/uvvisml
uvvisml
learningmatter-mit/uvvisml
33 stars9 forksJupyter NotebookAdded February 4, 2026
summary
UVVisML is a tool designed to predict the optical properties of molecules using machine learning techniques. It provides functionalities for making predictions based on experimental and theoretical data, specifically targeting absorption peaks and excitation energies.
description
Predict optical properties of molecules with machine learning.
topics
cheminformaticsdeep-learningmachine-learningmolecular-property-predictionspectroscopyuvvis-spectroscopy
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