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Question/suggestion: Smina implementation as a custom scoring function ? #1

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EtienneReboul opened this issue Aug 10, 2022 · 0 comments
Open

Question/suggestion: Smina implementation as a custom scoring function ? #1

EtienneReboul opened this issue Aug 10, 2022 · 0 comments

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@EtienneReboul
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Hello,

I was wondering if it was possible somehow to use this scoring function directly with SMINA using the --custom_scoring flag. And if not would it be something that you would like to consider.

Best,
Etienne Reboul
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@EtienneReboul