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Releases: ScilifelabDataCentre/streamlit-image-to-smiles

Version 1.0.0

09 Jan 16:29
@akochari akochari
v1.0.0
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akochari Arnold Kochari
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This commit was signed with the committer’s verified signature.
akochari Arnold Kochari
SSH Key Fingerprint: gxdYQmAm8TGYhgGoSHg6X9iXbOnGKIFXYWJBMV8DQA0 Learn about vigilant mode.
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Predict SMILES encodings of chemical structure depictions in images

Contains code for a web app that allows users to either upload an image file or take a picture using their webcam and get a prediction the chemical structure depicted in the image in SMILES notation.

This application was built using the Streamlit framework (Apache 2.0 license). It is using the DECIMER Image Transformer (MIT license) model to make predictions (as implemented in the DECIMER Python package). In addition, the application allows to edit the predicted SMILES using the web-based molecule sketcher Ketcher (Apache 2.0 license).

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