mol2vec

github.com/samoturk/mol2vec

Vector representations of molecular substructures.

Sourced from

  • Awesome Cheminformaticsgithub.com/samoturk/mol2vec

Related resources

A molecular informatics toolkit with an integration of bioinformatics and chemoinformatics tools for drug discovery.

Idle391 year ago
R
Artistic-2.0

Molecular descriptor calculator based on [RDKit](http://www.rdkit.org/).

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