[Lomap mapper, Lomap scorer, radial network] benchmark

OpenFreeEnergy / openfe-benchmarks

MIT License

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[Lomap mapper, Lomap scorer, radial network] benchmark #13

Open IAlibay opened 1 year ago

IAlibay commented 1 year ago

Benchmarks involving:

Lomap mapper
Lomap scorer
Radial network (lowest heavy atom center?)

hannahbaumann commented 1 year ago

Scoped-keys:

AlchemicalNetwork-3d94300a7e95648d9e89d3ae51f5a444-openfe-v0_11_0-ptp1b_lomap_mapper_radial_network
AlchemicalNetwork-7dcba43ece32dc4d8c5a55a97006df1b-openfe-v0_11_0-tyk2_lomap_mapper_radial_network
AlchemicalNetwork-60b0da88eb2c705936ad85fef56877b4-openfe-v0_11_0-shp2_lomap_mapper_radial_network