[Msmbuilder-news] MSMBuilder 1.0 release

[Greg Bowman]

Hello,

MSMBuilder 1.0 is now available for download at 
https://simtk.org/project/xml/downloads.xml?group_id=357

New features include:

- adaptive sampling (i.e. the ability to identify where new
simulations should be run to improve a model as efficiently as possible).
- sparse matrices at the microstate level to allow for tens of
thousands of states.
- added more robust kinetic clustering algorithms (simplex version of
PCCA, also called PCCA+).
- storage of matrices in text files instead of pickled objects to make
data more accessible.
- compatible with gromacs 4.5.x
- Bayesian model comparison features.
- experimental code for creating diagrams of the highest flux pathways
between sets of states (aka TPT figures).

We hope you find these updates useful and will let us know if you 
encounter any problems.

Best,

Greg