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Merge pull request #3 from choderalab/neqcyc-setup-unit #42

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Job	Run time
💻-ubuntu 🐍-3.9	3m 45s
💻-ubuntu 🐍-3.10	4m 52s
💻-ubuntu 🐍-3.11	4m 58s
💻-macos 🐍-3.11	20m 14s
	33m 49s