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

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IAlibay opened this issue Aug 22, 2023 · 1 comment
Open

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

IAlibay opened this issue Aug 22, 2023 · 1 comment
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@hannahbaumann
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@IAlibay
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IAlibay commented Aug 22, 2023

Benchmarks involving:

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

@hannahbaumann hannahbaumann changed the title Lomap radial benchmarks [Lomap mapper, Lomap scorer, radial network] benchmarks Aug 29, 2023
@hannahbaumann hannahbaumann changed the title [Lomap mapper, Lomap scorer, radial network] benchmarks [Lomap mapper, Lomap scorer, radial network] benchmark Aug 29, 2023
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