molecular-similarity

There are 0 repository under molecular-similarity topic.

drug-design / course
drugdesign.org source of truth
bioinformatics cheminformatics database-searching drug-design drug-discovery drugs library-design molecular-docking molecular-dynamics molecular-modeling molecular-similarity protein-ligand qsar structure-activity-relationships
12
brendaferrari / chemical-space
This repository contains all the projects related to Chemical Space Analysis.
chemical-space molecular-similarity
Language:Python 4
interactive-similarity-network-python
brendaferrari / interactive-similarity-network-python
Script developed to build an interactive molecular similarity network to visualize Tanimoto similarity between molecules in a dataset.
molecular-similarity molecular-fingerprints interactive
Language:HTML 2
lhm30 / scikitlearn_clustermap_rdkit_bicluster_molecules
hacked code to bicluster molecules using rdkit and scikitlearn
scikit-learn scikit rdkit smiles molecules cheminformatics biclustering clustering molecular-similarity similarity ecfp4 molecular-fingerprints circular-fingerprints ecfp-4
Language:Python 0