• License: LGPL-3.0-or-later
• Home: https://github.com/msmdev/pygpcca
• Development: https://github.com/msmdev/pygpcca
• Documentation: https://pygpcca.readthedocs.io/en/latest
• 79383 total downloads
• Last upload: 1 year and 9 months ago

Description

pyGPCCA employs Generalized Perron Cluster Cluster Analysis (G-PCCA) to coarse-grain reversible and in particular non-reversible Markov State Models. If you use pyGPCCA or parts of it, please cite Reuter et al. 2018 (https://doi.org/10.1021/acs.jctc.8b00079).