aml functions, such as aml.score.rdf.run_rdf_test and aml.score.vdos.run_vdos_test save their outputs in .pkl files in the same directory as the notebook they are run from (e.g. /scripts), meaning it is easy to lose/overwrite these files.
They could be automatically moved to the same directory as the trajectory used, or move commands could be added to the example workflows, to improve this.
aml functions, such as
aml.score.rdf.run_rdf_testandaml.score.vdos.run_vdos_testsave their outputs in .pkl files in the same directory as the notebook they are run from (e.g./scripts), meaning it is easy to lose/overwrite these files.They could be automatically moved to the same directory as the trajectory used, or move commands could be added to the example workflows, to improve this.