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..cf1e219 100644 --- a/metadata.json +++ b/metadata.json @@ -1,9 +1,12 @@ { - "Identifier": "", - "Slug": "", - "Status": "", - "Title": "", - "Description": "", + "Identifier": "eos30f3", + "Slug": "hERG-Channel-Blockers-Prediction", + "Status": "In progress", + "Title": "Prediction of hERG Channel Blockers with Directed Message Passing Neural Networks", + "Description": [ + "The model uses invertible flow-based model for generating unique molecules with desired properties. The model ultimately generates molecular graphs. In this model", + "the directed message passing neural network (D-MPNN) is applied to construct classification models for identifying hERG blockers based on diverse datasets." + ], "Mode": "", "Task": [], "Input": [], @@ -12,8 +15,12 @@ "Output Type": [], "Output Shape": "", "Interpretation": "", - "Tag": [], - "Publication": "", - "Source Code": "", - "License": "" -} + "Tag": [ + "hERG", + "channel-blockers", + "DMPNN" + ], + "Publication": "https://pubs.rsc.org/en/content/articlehtml/2022/ra/d1ra07956e", + "Source Code": "https://github.com/AI-amateur/DMPNN-hERG", + "License": "MIT" +} \ 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