Create networks [Kartograf mapper, Lomap scorer, Lomap network]

OpenFreeEnergy / protein-ligand-benchmark

Protein-Ligand Benchmark Dataset for Free Energy Calculations

MIT License

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Closed hannahbaumann closed 1 year ago

hannahbaumann commented 1 year ago

Two sets of network, allowing element changes and not allowing element changes

hannahbaumann commented 1 year ago

Added these in commit b56afa739449c09f0cbcf59ff0415e1365e5a09d and commit 4bde0fa416e772a91044908166225f1c530add24