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bp-kelley / descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning
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to_np method should return array #10

Closed iwatobipen closed 1 year ago

iwatobipen commented 2 years ago

Dear @bp-kelley ,

Thanks for developing really useful package for chemoinforomatics. I think to_np function should return array. Best,

Taka, @iwatobipen

bp-kelley commented 2 years ago

Thanks for the PR, I have a version 3 branch which I think fixes this as well. The older API wasn't terribly numpy friendly and I'm trying to resolve that. I'll double check that this patch is resolved in that branch.