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HannesStark / EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
MIT License
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c #53

Closed monabiyan closed 2 years ago

monabiyan commented 2 years ago

Hi, How do you guys interpret the results? the output.sdf is empty. The run was successfully done. Thank you!

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amfaber commented 2 years ago

What does your input sdf look like? Are there any entries in the failed.txt?