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A home for documentation, scripts etc related to PubChem efforts

Graph representation learning modelling pipeline exploiting molecular interaction networks of transcriptomics (protein-protein interactions) and metabolomics (metabolite-metabolite interactions) to learn PD-specific fingerprints from the spatial distribution of molecular relationships in an end-to-end fashion. The scripts apply the graph representation learning modelling pipeline on networks of molecular interactions, where transcriptomics and metabolomics data from the PPMI and the LuxPARK cohort, respectively, are projected.

Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html

Repository for all slides related to R3 courses.

R package for Gene Regulatory Networks

Code related to Talavera Andujar et al DOI: 10.26434/chemrxiv-2023-6j2gm

A repository to store code used in various projects for data cleanup, integration or analysis.