dwhswenson / contact_map

Contact map analysis for biomolecules; based on MDTraj
GNU Lesser General Public License v2.1
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Smarter loading for Dask based implementations #102

Open sroet opened 3 years ago

sroet commented 3 years ago

As mentioned in #101 , there are some limitations on the DaskContactFrequency, mainly:

Both these issues should be solvable with a somewhat smart implementation of mdtraj.iterload with a sensible skip and splitting out trajectories.