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DiffGap

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Repo init with weights and samples

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  1. README.md +9 -0
  2. ckpts/binddm+ours.pt +3 -0
  3. ckpts/binddm-r.pt +3 -0
  4. ckpts/decompdiff.pt +3 -0
  5. ckpts/targetdiff+ours.pt +3 -0
  6. ckpts/targetdiff-r.pt +3 -0
  7. ckpts/targetdiff.pt +3 -0
  8. metrics/.gitignore +2 -0
  9. metrics/ar_vina_docked.pt +3 -0
  10. metrics/binddm+ours_pdbbind_vina_docked.pt +3 -0
  11. metrics/binddm+ours_vina_docked.pt +3 -0
  12. metrics/binddm-r_pdbbind_vina_docked.pt +3 -0
  13. metrics/binddm-r_vina_docked.pt +3 -0
  14. metrics/crossdocked_vina_docked.pt +3 -0
  15. metrics/gapdiff_vina_docked.pt +3 -0
  16. metrics/ligan_vina_docked.pt +3 -0
  17. metrics/molcraft_metrics.pt +3 -0
  18. metrics/pdbbind_vina_docked.pt +3 -0
  19. metrics/pocket2mol_vina_docked.pt +3 -0
  20. metrics/targetdiff+ours_pdbbind_vina_docked.pt +3 -0
  21. metrics/targetdiff+ours_vina_docked.pt +3 -0
  22. metrics/targetdiff-r_pdbbind_vina_docked.pt +3 -0
  23. metrics/targetdiff-r_vina_docked.pt +3 -0
  24. metrics/targetdiff_vina_docked.pt +3 -0
  25. metrics/td_vina_docked.pt +3 -0
README.md ADDED
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+ # DiffGap
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+
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+ The checkpoints and metrics files for [DiffGap](https://github.com/HUGHNew/DiffGap).
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+
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+ Including files:
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+ - ckpts: baseline checkpoints and ours
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+ - metrics: the sampling and evaluation results
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+
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+ We list all baselines for convenience.
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metrics/.gitignore ADDED
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+ *
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+ !.gitignore
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