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OpenFreeEnergy / IndustryBenchmarks2024

Repository for the 2024 OpenFE industry benchmark efforts
https://industrybenchmarks2024.readthedocs.io/en/latest/
MIT License
1 stars 7 forks source link

Add validation scrip test for PTMs #35

Closed IAlibay closed 1 month ago

jameseastwood commented 1 month ago

Need to find a test case that should fail (not PTO) @IAlibay