adafede / bottchercomplexity Goto Github PK
View Code? Open in Web Editor NEWThis project forked from boskovicgroup/bottchercomplexity
Mirror for our work implementing the Böttcher (2016 https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00723 ) complexity function via RDKit
License: BSD 3-Clause "New" or "Revised" License