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🍨 thermochem

solvation property, solubility
6 repositories

Solv@TUM - The Solvation Free Energy Database

TeX 12 5 Updated Mar 31, 2024
Python 9 2 Updated May 6, 2021
Jupyter Notebook 10 4 Updated Jun 1, 2023

Repository containing the datasets and scripts utilized for making the figures in the SolTranNet paper

Jupyter Notebook 4 2 Updated Jul 6, 2021

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

Jupyter Notebook 61 28 Updated Jun 12, 2025
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