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…ready subtracts it
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Thank you for the careful review and for raising this issue, @qurat-ul-ain95. This does look to be an issue and we will review it more thoroughly. (The tests failures are infrastructure related, probably will be resolved after merging some action updates) |
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Thank you again @qurat-ul-ain95 for the careful review of the sample ranking formula and for submitting a fix for this issue!
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My pleasure! :) |
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AF3 SI §5.9.3 eq (19) formula
0.8·ipTM + 0.2·pTM + 0.5·disorder − 100·has_clashgives a penalty to polymers with clashes.Current implementation has the signs flipped so samples with clashes are up weighted rather than down weighted.
THis PR:
has_clash_weightinsidefull_complex_sample_ranking_metric