README
added conda install instruction to manual installation guide in the README
environment.yml
added openmmtorchplugin
analysis_example
added main function and if __name__ == "__main__" to avoid multiprocessing error, and added sending the net to the GPU as well as always choosing GPU if one is available instead of manually
trainer
prettier formatting in the verbose training setting like
main
function andif __name__ == "__main__"
to avoid multiprocessing error, and added sending the net to the GPU as well as always choosing GPU if one is available instead of manuallyand formatting of the log file so it can easily be read with eg
pandas.read_csv