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choderalab / perses

Experiments with expanded ensembles to explore chemical space
http://perses.readthedocs.io
MIT License
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resolves issue #1150 #1151

Closed mikemhenry closed 1 year ago

mikemhenry commented 1 year ago

Description

Fix issue with test using old CLI

Motivation and context

Resolves #1150

How has this been tested?

tested locally and on lilac, this test is skipped on CI

Change log

codecov[bot] commented 1 year ago

Codecov Report

Merging #1151 (926674c) into main (e536cfd) will not change coverage. The diff coverage is 100.00%.