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; http://www.python.org/
Numpy >= 1.9.1; http://www.numpy.org/
Matplotlib >= 1.0; http://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. 2022, 62, 9, 2186–2201