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HaotianZhangAI4Science / SurfGen

SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
MIT License
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Inquiry on Data Sources for AKT1 and CDK2 Targets and Ligands in the Paper #13

Open yanliang3612 opened 4 months ago

yanliang3612 commented 4 months ago

Dear Author,

I hope this message finds you well.

I recently had the pleasure of reading your paper, "Learning on topological surface and geometric structure for 3D molecular generation", published in Nature Computational Science. Your work is truly impressive and offers significant insights into the field.

I am particularly interested in the section on "Drug design on COVID-19 and other therapeutic targets," where you discuss the use of AKT1 and CDK2 targets and ligands. I would greatly appreciate it if you could provide some guidance on where I might obtain the data for these targets and ligands. Specifically, I am looking for the datasets you used in your research.

Additionally, I am curious to know if the data for the 3CL protease is available on GitHub, as I am considering exploring it for a related project.

Thank you very much for your time and assistance. I look forward to your response.

Best regards,

Divin Yan

HaotianZhangAI4Science commented 2 months ago

Hi yanliang,

I have sent it to your email, if you need more assistance, please let me know (odinz@uw.edu).

Best, Odin