Releases: atomistic-machine-learning/schnetpack-gschnet
Releases · atomistic-machine-learning/schnetpack-gschnet
Release of version 1.0.0
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)
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.).