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low iptm #173

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YidongSong opened this issue Nov 25, 2024 · 2 comments
Open

low iptm #173

YidongSong opened this issue Nov 25, 2024 · 2 comments

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@YidongSong
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Why are the IPTM values for the locally predicted structures consistently low, with 90% being below 0.2? Is this due to insufficient accuracy of chai in antibody-antigen complexes?
@YidongSong
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The IPTM value is 0.17 when calculated on the 3090, whereas it is 0.65 when calculated on the A100. What is the reason for this?

@arogozhnikov arogozhnikov mentioned this issue Dec 9, 2024
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@arogozhnikov
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Nothing depends on GPU model, and graph should be evaluated in the same way.

Steps to debug

  1. Check that you use identical environments and identical input scripts
  2. run with 3 seeds on each machine

If there is still significant difference, that's something to report to torch team.

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@arogozhnikov @YidongSong