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Projects in Awesome Lists tagged with structure-based-drug-design
A curated list of projects in awesome lists tagged with structure-based-drug-design .
https://github.com/adam-maz/chembl_parsing_script
Script enables researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features.
bioactivity chembl computer-aided-drug-design data-parsing ipython-notebook ligand-based-drug-design medicinal-chemistry python smiles structure-based-drug-design
Last synced: 13 Nov 2024
https://github.com/adam-maz/sift-based_ligand-target_analysis
Here I am sharing a package containing scripts for SIFt analysis. These tools enable the user to compare the SIFts of docked ligands with a averaged reference SIFt by calculating the Tanimoto coefficients.
maestro-schrodinger python regex sift-descriptors structure-based-drug-design tanimoto-coefficient
Last synced: 04 Jan 2025