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zincware / IPSuite

Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
19 stars 11 forks source link

use correct dimension to get model ensembles #339

Closed M-R-Schaefer closed 2 months ago

M-R-Schaefer commented 2 months ago

small fix required for the new convention with N_models being the last axis.

PythonFZ commented 2 months ago

Should we bump the min apax version?

M-R-Schaefer commented 2 months ago

Should we bump the min apax version?

apax is not part of the ipsuite deps anymore. and the PR on the apax side has not been merged yet.

PythonFZ commented 2 months ago

Should we bump the min apax version?

apax is not part of the ipsuite deps anymore. and the PR on the apax side has not been merged yet.

My bad. Then LGTM.