[Docking Leaderboard DRD3] Would it be possible to have access to the full training dataset docking scores

Question

[Docking Leaderboard DRD3] Would it be possible to have access to the full training dataset docking scores

vincrichard opened this issue a year ago · 3 comments

Dear authors and maintainers of the TDC project,

In the leaderboard of the DRD3 docking group benchmark there is a "Best in dataset" metric. I would be interested in having access to the docking values of the full dataset. Would it be possible to have access to have to this information ?
I believe the training dataset for this task is Zinc 250k.

Best regards,

Answer 1 · 2024-01-13T02:02:12.000Z

@futianfan @wenhao-gao do we have the full dataset stored somewhere? I cannot locate them on my repository.