Upload 9 files

.gitattributes

@@ -57,3 +57,8 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
 # Video files - compressed
 *.mp4 filter=lfs diff=lfs merge=lfs -text
 *.webm filter=lfs diff=lfs merge=lfs -text
+chebi.obo filter=lfs diff=lfs merge=lfs -text
+classes_slim.csv filter=lfs diff=lfs merge=lfs -text
+classes.csv filter=lfs diff=lfs merge=lfs -text
+dataset.json filter=lfs diff=lfs merge=lfs -text
+structures.csv filter=lfs diff=lfs merge=lfs -text

chebi.obo

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e19df1ef3a982a7b5bef81a8d537055bb6850f75eb26a091e127c110cb5df566
+size 252448120

classes.csv

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3452f7cfb87fe03261a6cd394c3bb3c859ea30e4b03f4980cef0800322c83cbb
+size 40369041

classes_slim.csv

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f4554c777615adc3f97b79d1b95777703e647cae61dad16734099fc79c6f6398
+size 15678734

classes_slim_summary.csv

@@ -0,0 +1,4 @@
+,count,mean,std,min,25%,50%,75%,max
+parents_count,367.0,1.4850136239782017,0.6888407441870228,1.0,1.0,1.0,2.0,6.0
+xrefs_count,367.0,2.343324250681199,2.8316812015763917,1.0,1.0,1.0,3.0,26.0
+all_positive_examples_count,367.0,420.1743869209809,798.7920984215152,25.0,45.5,104.0,393.5,4918.0

classes_summary.csv

@@ -0,0 +1,4 @@
+,count,mean,std,min,25%,50%,75%,max
+parents_count,1364.0,1.4626099706744868,0.6159372178040183,0.0,1.0,1.0,2.0,6.0
+xrefs_count,367.0,2.343324250681199,2.8316812015763912,1.0,1.0,1.0,3.0,26.0
+all_positive_examples_count,1364.0,326.35557184750735,648.8074666609891,25.0,45.0,90.0,275.25,4927.0

dataset.json

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:213a047aa020aa886b7e6ee8af0227875223f0e2f9f03b0d1fa4b020af9c2103
+size 84026619

metadata.csv

@@ -0,0 +1,2 @@
+ontology_version,min_members,max_members
+chebi237,25,5000

structures.csv

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7a2fa162c280daaf92353a7f26045450f2aff45456fbe0bf4364d295fc658a2c
+size 38567634

structures_summary.csv

@@ -0,0 +1,4 @@
+,count,mean,std,min,25%,50%,75%,max
+cls_ids_count,177875.0,2.4993281799016165,2.9353562706918566,0.0,1.0,2.0,3.0,28.0
+smiles_length,177875.0,88.4125650035137,99.31309831480769,2.0,43.0,66.0,92.0,1822.0
+wildcard_count,177875.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0