mordred

BSD-3-ClausePythonv1.2.0

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Overview

a molecular descriptor calculator

Community-curated · Updated weekly · 100% open source

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2 years ago

CreatedSince 2015

Auto-fetched 2 hours ago

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

Descriptor computation(chemistry) and (optional) storage for machine learning

R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions

Align molecules according their pharmacophores