PNNL-CompBio/CLEAN-Contact
PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference
This tool helps biochemists and bioinformaticians predict the specific functions of enzymes using their protein sequences and 3D structures. You provide protein sequences in CSV or FASTA files, along with PDB files for structures (or the tool can fetch them from AlphaFold). It outputs predictions of enzyme function (EC numbers) and prediction confidence, helping researchers categorize and understand new enzymes.
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Use this if you need to accurately predict the enzymatic function (EC number) for a set of proteins and have access to their sequence and structural information.
Not ideal if you do not have protein structural data or if your primary interest is in non-enzymatic protein function prediction.
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Python
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Last pushed
May 29, 2024
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