The intended usage is to be able to add molecular vectorization directly into scikit-learn pipelines, so that the final model directly predict on RDKit molecules or SMILES strings As example with the ...
HSPiPy is a Python library designed for calculating and visualizing Hansen Solubility Parameters (HSP). It provides machine-learning–friendly estimators, convenient data import, and plotting tools for ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback