Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
WHAT YOU BECOME
Perfect for these scenarios
Find gene expression patterns for cancer subtypes or rare diseases from GEO datasets.
Combine multiple RNA-seq datasets to validate findings across independent experiments.
Compare transcriptomic responses between treated vs. control groups in GEO experiments.
Retrieve expression datasets to support hypotheses about gene regulatory mechanisms.
MEASURED GAIN
Proven benefits and measurable impact
Reduce dataset search and download time compared to manual GEO web browsing.
Quickly access SOFT/Matrix files ready for downstream expression analysis pipelines.
Eliminate formatting and conversion steps for GEO data integration.
WHAT YOU GET
Files, tags and the three-step install
Tip: Read the documentation and the code before first use, so you know what it does and which permissions it needs.
NEXT SCRIPTS
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