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Added GuacaMol Dataset to torchdrug

Open adiv5 opened this issue 4 years ago • 0 comments

This request involves use of GuacaMol's Benchmarking dataset(link) and I have implemented it into torchdrug. I have used guacamol's pip package to download and process the smiles to CSV . There is an alternative available too, where this repo provides a csv version of guacamol directly , let me know if we can use that instead.

PS: This is My First Open Source Contribution, so I am open to feedback and help

adiv5 avatar Dec 22 '21 06:12 adiv5