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ecrl
padelpy

A Python wrapper for PaDEL-Descriptor software

54K 228 39
HzaCode
cheminformant

⚗️ An all-in-one solution for chemical property retrieval from PubChem.

2K 29 4
kamilpytlak
moleculapy

👨‍🔬 A command-line application that utilizes the RDKit library to compute molecular descriptors and fingerprints, aiding in the analysis and characterization of chemical structures

481 1 1
ecrl
alvadescpy

Python wrapper for alvaDesc software

439 10 4
vitruves
rdkit-cli

Python command line tool for rdkit library, fast, simple and reactive

344 3 0
patonlab
molcomplex

Molecular Complexity Calculations

119 17 2
Cognitive-Chemistry-Labs
padelpy2

A Python wrapper for PaDEL-Descriptor

88 2 0