Protein Descriptors
Are there any Python or R-based packages to determine Protein Descriptors (Sequence-based or structure-based)? I have explored some packages in the case of ligands e.g. Mordred, RDKit, etc. I'm new to Drug Discovery/Drug Repurposing any guidance would be beneficial and much appreciated. Thank you!
biopython
discovery
drug
chemoinformatics
bioconductor
repurposing
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