futianfan
commented
2 years ago drd3 is 3pbl, please use a = Oracle(name='3pbl_docking') instead. thanks!!
Closed aryandeshwal closed 2 years ago
futianfan
commented
2 years ago drd3 is 3pbl, please use a = Oracle(name='3pbl_docking') instead. thanks!!
Hi, Thank you for creating and maintaining this amazing package. I have a query about the 'drd3' docking score which is used in the main paper and the associated leaderboard. I have looked around but couldn't figure out how to call 'drd3' docking score oracle. I looked into some examples for e.g. line 29 in this example but it seems that format is not supported anymore. I also tried a simpler variant as Oracle(name='drd3_docking') (similar to line 22 here) but that gives an error as well. Can you please help with me accessing 'drd3' docking score?
Aryan