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OpenFreeEnergy / openfe-benchmarks

MIT License
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[Kartograf mapper, Lomap Scorer, MST network] benchmark #10

Open IAlibay opened 1 year ago

IAlibay commented 1 year ago

We would like to benchmark Kartograf's mapper.

hannahbaumann commented 1 year ago

scoped-keys:

AlchemicalNetwork-64d358959a35c352b42b058a2d19e1d3-openfe-v0_11_0-p38_kartograf_mapper_mst_network
AlchemicalNetwork-96ffe9a0c68ce1b0ad05d197a93543f5-openfe-v0_11_0-cmet_kartograf_mapper_mst_network 
AlchemicalNetwork-894a1117906569ed4ded259787b49390-openfe-v0_11_0-hif2a_kartograf_mapper_mst_network
AlchemicalNetwork-8725f1508f5f4216d3982d7fe426cef9-openfe-v0_11_0-mcl1_kartograf_mapper_mst_network
AlchemicalNetwork-5b7be136f00b8396db778d78045f453b-openfe-v0_11_0-pde2_kartograf_mapper_mst_network
AlchemicalNetwork-ce7eeb7ad6233cb8ce874a3ad9e88627-openfe-v0_11_0-pfkfb3_kartograf_mapper_mst_network
AlchemicalNetwork-511098477d5c343d60c88db90b676a70-openfe-v0_11_0-ptp1b_kartograf_mapper_mst_network
AlchemicalNetwork-98466ce44024f0f799c1af9e36671257-openfe-v0_11_0-tyk2_kartograf_mapper_mst_network
AlchemicalNetwork-c2caf966973c8124e39c8147f05cf56d-openfe-v0_11_0-shp2_kartograf_mapper_mst_network