Closed franknoe closed 8 years ago
WHAM and dTRAM now give (optional) access to the max-error and loglikelihood history via the arguments err_out
and lll_out
(output every *_out
steps, default=0) in their estimate()
functions.
Is that sufficient to close this issue?
yes
Am 18/11/15 um 16:48 schrieb Christoph Wehmeyer:
WHAM and dTRAM now give (optional) access to the max-error and loglikelihood history via the arguments |err_out| and |lll_out| (output every |*_out| steps, default=0) in their |estimate()| functions.
Is that sufficient to close this issue?
— Reply to this email directly or view it on GitHub https://github.com/markovmodel/thermotools/issues/10#issuecomment-157755072.
Prof. Dr. Frank Noe Head of Computational Molecular Biology group Freie Universitaet Berlin
Phone: (+49) (0)30 838 75354 Web: research.franknoe.de
Iterative estimators such as WHAM etc must be able to return information about the convergence, i.e. the max-error history. It would also be useful to (optionally) access the likelihood history.
We have something like this for msmtools.estimation.transition_matrix (although that could be improved too)