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cheminfo

Here are 3 public repositories matching this topic...

santuchal / Physicochemical_Properties_Small_Molecule

Physicochemical Property data extraction from small molecule

cheminformatics adme physicochemical-properties small-molecules cheminfo

Updated Sep 12, 2023
Python

santuchal / molecule_descriptors_and_fingerprint

SMILE to Descriptors and Fingerprint Generators

cheminformatics cli-app rdkit molecular-descriptors rdkit-chem cheminfo cheminformatics-and-compchem

Updated Sep 4, 2023
Python

cheminfo / cheminfo.github.io

data chemistry cheminfo

Updated Aug 13, 2021

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