Want to predict a probabilisitc model for solublity? Have low amounts of data?
.. then maybe gpHSP is the right tool for you.
- Make end-to-end example.
- Make cheaper alternative models (e.g. smiles to HSP).
- Release gpmol dependency.
-
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Code to build a probabilistic predictive model for HSP
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aspuru-guzik-group/gpHSP
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Code to build a probabilistic predictive model for HSP
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