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Here is the code repository for the model https://github.com/chemprop/chemprop https://github.com/chemprop/chemprop . I am surprised by the (high) quality of th

Here is the code repository for the model https://github.com/chemprop/chemprop https://github.com/chemprop/chemprop . I am surprised by the (high) quality of the code published there. It is quite a rare case in the academic world :).

phobar 7y ago
They are funded by several big pharma companies (from which they have learned a lot in terms of QSAR). One main point of the collaboration is the creation of production ready toolkits.