wenjiegroup / ProMEP

Zero-shot prediction of mutation effects on protein function with multimodal deep representation learning

ProMEP

Zero-shot prediction of mutation effects on protein function with multimodal deep representation learning <<<<<<< HEAD

Quick Start

As a prerequisite, you must have SE(3)-Transformers installed to use this repository.

Dependences

conda install --yes --file requirements.txt

Usage

Generate per-residue representations

python inference.py --task ec --outfile embeddings.h5

Calculate log-ratio heuristic under the constraints of both sequence and structure

python inference_dms.py --task ec --outfile fitness_prediction.h5

Zero-shot prediction of mutation effects

python predict_mutation_effects.py testdata/fitness_prediction.h5 

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