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rdk / p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

Home Page:https://rdk.github.io/p2rank/

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Spearmint and Python 3

skodapetr opened this issue · comments

commented

As the end of Python 2 support, have you tested Spearmint with Python 3? Spearmint's repository
(from 2016) operates (in readme.md) with Python 2.7.

commented

It doesn't look like Spearmint is ever going to be updated for Python 3, but I have integrated alternative optimizer https://github.com/josejimenezluna/pyGPGO which runs on Python 3 (see https://github.com/rdk/p2rank/blob/develop/misc/tutorials/hyperparameter-optimization-tutorial.md#optimization-with-pygpgo).
Implemented on develop branch and will be released in 2.4 .