These are some scripts to generate and process large fingerprint datasets, including generating the Extended Chemical Space Networks (eCSNs)

This code is distributed under GPL License version 3 (GPLv3).

Python >= 3.3; https://www.python.org/

Numpy >= 1.9.1; https://www.numpy.org/

Matplotlib >= 1.0; https://matplotlib.org/

NetworkX

Please, cite the associated manuscript:

"Diversity and Chemical Library Networks of Large Datasets", T. B. Dunn, G. M. Seabra, T. D. Kim, K. E. Juarez-Mercado, C. Li, J. L. Medina-Franco, R. A. Miranda-Quintana, J. Chem. Inf. Model. (2021), submitted.