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Knotted Proteins Experiments

Data and experiments related to the Knot or not? Identifying unknotted proteins in knotted families with sequence-based Machine Learning model paper

Content description

Data_preprocessing	# pipeline for data processing of raw AF data to training datasets
Dataset_insights	# data analysis, visualization
Interpretability	# application of standard interpretation techniques + patching
Models			# source codes for model training
Technical

Models

All models were trained on AF dataset

Model name Architecture Availability
M1 ProtBert-BFD Hugging Face
M2 simple CNN trained on embeddings from ProtBertBFD Hugging Face
M3 PENGUINN trained on ohe Hugging Face
M1 older DistilProtBert Hugging Face

If you want to be able to push to this repo (to add your code), email Petr (simecek -at- mail.muni.cz).

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Models recognizing knotted x unknotted proteins from their sequence

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