README.md

metadata

title: Chemprop Example
emoji: 🚀
colorFrom: blue
colorTo: red
sdk: docker
pinned: false
license: mit

Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference

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Chemprop and infos about it can be found at https://github.com/chemprop/chemprop

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Training data from:

https://github.com/hesther/reactiondatabase

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save results in dataset, see https://huggingface.co/docs/huggingface_hub/main/en/guides/upload#scheduled-uploads

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chemprop example scripts: https://github.com/chemprop/chemprop_benchmark/tree/main (for v1 though)