Ecosyste.ms: Issues

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GitHub / zincware/MDSuite issues and pull requests

#423 - Improve database path

Pull Request - State: closed - Opened by PythonFZ about 3 years ago

#409 - We could implement TensorFlow in the distinct diffusion coefficients calculation.

Issue - State: closed - Opened by SamTov about 3 years ago - 2 comments

#397 - Use `tf.data.Dataset` and prefetching in the file readers

Issue - State: closed - Opened by PythonFZ about 3 years ago - 3 comments
Labels: enhancement, file io, coding-day, performance

#377 - publish package on PyPi

Issue - State: closed - Opened by PythonFZ about 3 years ago - 4 comments

#372 - WIP: Refactor fileread

Pull Request - State: closed - Opened by christophlohrmann over 3 years ago - 17 comments

#371 - Flux files stopped working

Issue - State: open - Opened by Fratorhe over 3 years ago - 15 comments
Labels: bug, file io, p1-high

#368 - added versioneer capability

Pull Request - State: closed - Opened by Fratorhe over 3 years ago - 4 comments

#349 - optimized calculator base class

Pull Request - State: closed - Opened by PythonFZ over 3 years ago - 1 comment

#242 - metadata for experiments

Issue - State: closed - Opened by christophlohrmann over 3 years ago - 6 comments
Labels: enhancement, experiment, discussion

#233 - Plot Energies/Forces/... over time

Issue - State: open - Opened by PythonFZ over 3 years ago - 5 comments
Labels: good first issue, calculator, experiment

#217 - Add sql logging to debug mode

Issue - State: closed - Opened by SamTov almost 4 years ago - 2 comments