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openforcefield / openff-evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.
https://docs.openforcefield.org/projects/evaluator
MIT License
55 stars 18 forks source link

tutorial data and script are outdated #480

Closed wenyan4work closed 1 year ago

wenyan4work commented 1 year ago
  1. the example data are outdated. For example, https://github.com/openforcefield/openff-evaluator/blob/1e1a2d06e5a01d0f3262518a648996314fdb8276/openff/evaluator/data/tutorials/tutorial02/estimated_data_set.json#L241 here openff.evaluator.utils.statistics no longer exists
  2. https://github.com/openforcefield/openff-evaluator/blob/main/docs/tutorials/tutorial04.ipynb this script uses some old api of openff-evaluator and openff-toolkit and no longer works.
mattwthompson commented 1 year ago

I believe this is closed with #499 and a release, please re-open if it hasn't been resolved