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Transformers Enhance the Predictive Power of Network Medicine

Jonah Spector, Andrés Aldana Gonzalez, Michael Sebek, Joseph Ehlert, Christian DeFrondeville, Susan Dina Ghiassian, and Albert-László Barabási

Code and Data Structure

All functions used for analysis are contained in gf_tools.py. The scripts figure_X.py can be run to generate the figures in the main text, and the scripts figure_SX.py can be run to generate the supplemental figures. The tokenization_example.py file shows how to use other expression data with Geneformer.

The matrices of aggregated weights are stored on huggingface, and the file structure is specified there. Each branch of the file tree ends in a folder containing 3 files, called counts.pkl, vals.pkl, gene_dict.pkl. The counts matrix is a square matrix of size NxN, where N is the number of unique genes in the sample set. It counts how many times each pair of genes co-occurs in a sample. The vals matrix is the same shape, and contains the aggregated weight between each pair of genes. gene_dict.pkl is a dictionary that specifies the index of each gene in the matrix.

The supplemental_data folder contains 4 other files that are needed to generate the figures from the paper. These are the PPI network (ppi.csv), the Gene Disease Assosciation (GDA) table (gda.csv), DrugBank (drugbank.csv), and a dictionary called gene_name_id_dict.pkl provided by the Geneformer authors that converts gene symbols to Ensembl IDs.

How to Install and Run

The requirements.txt file lists required packages for this project. To avoid compatibility issues, we recommend creating a new virtual environment and installing only the required packages.

The easiest way to set up the data locally is to download this repository, and add a folder called data that contains the data from huggingface, using the same file structure. It may be necessary to only take some of the branches of the tree, depending on the availability of storage. If this is the case, and you would like to implement a different file structure, the paths to the matrices can be found at or near the top of each figure script.

Running the Figure Scripts

Once the paths to the matrices have been specified, open the figure script you would like to run, and specify your output folder in the path_to_figs variable. Then the script can be run and the plots will be saved to that folder.

Using Other Data

The gf_tools folder also contains the functions needed to create the aggregated matrices stored on huggingface. This process is laid out in tokenization_example.py. To run the script, fill in your relevant file paths, make sure your expression data is formatted with gene names as the row index, and sample IDs as the column names, and replace the section labeled "METADATA" with code to parse your own metadata and assign labels. For best results, make sure that your data has Ensembl IDs for gene identifiers.

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Application of Geneformer for Network Medicine

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