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How does value in val_mol_fp_value_step.pt caculate? #7

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opened 2025-10-14 17:07:23 -06:00 by navan · 0 comments
navan commented 2025-10-14 17:07:23 -06:00
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Originally created by @sjtuchem on 10/25/2023

Hello, binghong. I'm interested in the dataset about value. I've read your response about the reaction cost (the reaction cost is defined as the negative log-likelihood of the reaction (sec 5.2), which is given by the one-step model (Eq. 1))
So how does these molecule values caculated? Maybe it based on the price of reagents?

*Originally created by @sjtuchem on 10/25/2023* Hello, binghong. I'm interested in the dataset about value. I've read your response about the reaction cost (the reaction cost is defined as the negative log-likelihood of the reaction (sec 5.2), which is given by the one-step model (Eq. 1)) So how does these molecule values caculated? Maybe it based on the price of reagents?
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Reference: github/retro_star#7
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