diff --git a/data-manager/rdkit.yaml b/data-manager/rdkit.yaml index 6e143ed..cb0c4bb 100644 --- a/data-manager/rdkit.yaml +++ b/data-manager/rdkit.yaml @@ -944,7 +944,7 @@ jobs: Filters molecules by molecular similarity using RDKit. A number of descriptors and metrics are available. Query molecule(s) are specified from a project file or as SMILES. - version: '1.0.1' + version: '1.0.2' category: comp chem keywords: - rdkit @@ -1048,7 +1048,7 @@ jobs: Geometric mean of similarities required: true active: true - derived-from: inputFile + derived-from: inputFile options: type: object required: