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Releases: atomistic-machine-learning/schnetpack-gschnet

Release of version 1.0.0

25 Apr 14:09
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This marks the first official release of schnetpack-gschnet as an extension to schnetpack>=2.0.3.
Split files generated using the pre-release 0.0.1 are not compatible with v1.0.0.
Other than that, models trained with the pre-release are compatible.

Initial release (version 0.0.1)

21 Apr 15:23
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Pre-release

Initial release of the code base that is compatible with schnetpack==2.0.1 and pytorch-lightning<2.0.
Fixed versions of required packages in setup.py to guarantee that a functioning environment can be easily set up by following the installation instructions.
The next release will have relaxed version constraints and it will work with the most up-to-date dependencies (i.e. schnetpack, pytorch-lightning, pytorch etc.).