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README.md

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# McFAE (Molecular Complex Feature Attribution Extraction)
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## Setup environment
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All required packages can be installed in a conda environment. `conda` and `git` need to be installed on your machine.
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Installation can be done with
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conda env create -f environment.yml
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The TCR-epitope Feature Attributions (TEFA) environment can be activated with
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The McFAE environment can be activated with
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conda activate TEFA
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conda activate McFAE
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Run following script to unzip the data. This requires `unzip` to be installed, the zips at `data/pdb/pdb.zip`
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and `data/tcr3d_images/imrex_input_images.zip` can also be extracted manually.

environment.yml

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name: TEFA
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name: McFAE
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channels:
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- defaults
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- bioconda
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- shap==0.40.0
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- saliency==0.1.3
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- colour==0.1.5
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- "--editable ./ImRex"
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- "--editable ./ImRex"

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