Tianfan Fu

@jannisborn Hi Jannis, i create a new branch that merge #167 (my version) and #168 (your version). Please see details at https://github.com/mims-harvard/TDC/tree/sklearn_merge_168_167 we hope to use two oracle files: jnk3.pkl...

good luck with your defense and no rush!

We really appreciate your contribution, anyway.

hi Vincent, sorry for late response! I didn't get the same error. But I think you can use the extracted vocabulary to run DST, which is available in [this repository](https://github.com/wenhao-gao/mol_opt/blob/main/main/dst/data/vocabulary.txt)....

thanks for clarify this @bbjy

Hi, thanks for your interest, I used python 3.7 and sklearn 0.23.2, it works on both mac and linux. What is your version sklearn?

do you mean to download the oracle? download oracle does not take too much time. or do you mean docking a ligand? docking a ligand requires a couple of minutes...