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tutorial/example for "predict next experiment" #24

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sgbaird opened this issue Dec 11, 2021 · 2 comments
Open

tutorial/example for "predict next experiment" #24

sgbaird opened this issue Dec 11, 2021 · 2 comments

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@sgbaird
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sgbaird commented Dec 11, 2021

Be it composition- or structure-based, could you point to a place in the docs or provide an example that follows the general idea of:

from pychemia import Discover()
mdl = Discover()
mdl.fit(X_train)
next_experiment = mdl.suggest_next_experiment()

I'm hoping to be able to compare PyChemia with mat_discover.
@sgbaird
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sgbaird commented Jan 8, 2022

bump
@guilleaf @petavazohi @uthpalaherath

@sgbaird
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sgbaird commented Apr 5, 2022

@petavazohi Is adaptive design possible/implemented with PyChemia?

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@sgbaird