diff --git a/.gitattributes b/.gitattributes new file mode 100644 index 0000000..6293b60 --- /dev/null +++ b/.gitattributes @@ -0,0 +1 @@ +mock.txt filter=lfs diff=lfs merge=lfs -text diff --git a/metadata.json b/metadata.json index ed89956..828db20 100644 --- a/metadata.json +++ b/metadata.json @@ -1,9 +1,9 @@ { - "Identifier": "", - "Slug": "", - "Status": "", - "Title": "", - "Description": "", + "Identifier": "eos5guo", + "Slug": "erg-descs", + "Status": "In progress", + "Title": "ErG 2D Descriptors", + "Description": "The Extended Reduced Graph (ErG) approach uses the description of pharmacophore nodes to encode molecular properties, with the goal of correctly describing pharmacophoric properties, size and shape of molecules. It was benchmarked against Daylight fingerprints and outperformed them in 10 out of 11 cases. ErG descriptors are well suited for scaffold hopping approaches.", "Mode": "", "Task": [], "Input": [], @@ -12,8 +12,11 @@ "Output Type": [], "Output Shape": "", "Interpretation": "", - "Tag": [], - "Publication": "", - "Source Code": "", - "License": "" -} + "Tag": [ + "Descriptor", + "Fingerprint" + ], + "Publication": "https://pubs.acs.org/doi/10.1021/ci050457y", + "Source Code": "https://www.rdkit.org/docs/source/rdkit.Chem.rdReducedGraphs.html", + "License": "BSD-3.0" +} \ No newline at end of file diff --git a/mock.txt b/mock.txt new file mode 100644 index 0000000..c33f4fb --- /dev/null +++ b/mock.txt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73c9ad5608a69a3c694b90527604a01ccf3c82f9e27468e83a36317aaaa1ef56 +size 28