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pengxingang / Pocket2Mol

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
MIT License
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Regarding the evaluation #3

Closed SeulLee05 closed 2 years ago

SeulLee05 commented 2 years ago

Hi, thanks for the awesome work. The code for sampling is provided, but I guess the evaluation code for Vina score, QED, SA, etc. (i.e., Table 1 of the paper), is missing. For the reproducibility of your work, may I ask you to kindly include the evaluation code?

pengxingang commented 2 years ago

Thanks for your advice! We will consider adding the evaluation code soon.

pengxingang commented 2 years ago

We have uploaded the evaluation code.

SeulLee05 commented 2 years ago

Thanks a lot for your kind reply!