Align protein OOD split sizes
Browse files- .DS_Store +0 -0
- data/p_ood_25/test.csv +2 -2
- data/p_ood_25/train.csv +2 -2
- data/p_ood_25/validation.csv +2 -2
- data/p_ood_28/test.csv +2 -2
- data/p_ood_28/train.csv +1 -1
- data/p_ood_28/validation.csv +0 -0
- data/p_ood_31/test.csv +0 -0
- data/p_ood_31/train.csv +2 -2
- data/p_ood_31/validation.csv +0 -0
- data/p_ood_33/test.csv +2 -2
- data/p_ood_33/train.csv +2 -2
- data/p_ood_33/validation.csv +2 -2
- split_statistics.csv +13 -0
- split_statistics_table.csv +5 -0
.DS_Store
ADDED
|
Binary file (8.2 kB). View file
|
|
|
data/p_ood_25/test.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:11a0aa9f682696d2d6268bebc2788515ad5fc39bb59dc99f7607f3b6ad3e07cf
|
| 3 |
+
size 24758947
|
data/p_ood_25/train.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9a07e47a5a5974484585fabf97309be0b93ca6021bacf1878b5ed42e06e6292a
|
| 3 |
+
size 43872080
|
data/p_ood_25/validation.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:aff8a80776e7d08f891562ac7f1a7ffcf53d477875f6fbb2161595d8ef1d1d34
|
| 3 |
+
size 24760793
|
data/p_ood_28/test.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e97bafe868d36e441e7d3a820028b3db9f09fa2a06061623dd7dd20e26b2cd8c
|
| 3 |
+
size 10577911
|
data/p_ood_28/train.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
size 63381328
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b331308fbbabacd3c04e4cfe83816ac800c56599d843e43ec3aa833ffd85d554
|
| 3 |
size 63381328
|
data/p_ood_28/validation.csv
CHANGED
|
The diff for this file is too large to render.
See raw diff
|
|
|
data/p_ood_31/test.csv
CHANGED
|
The diff for this file is too large to render.
See raw diff
|
|
|
data/p_ood_31/train.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4bc140d4aaf7de2119279eb51d83b1e857013c7f64863aff7aaac5063deb8f65
|
| 3 |
+
size 69690992
|
data/p_ood_31/validation.csv
CHANGED
|
The diff for this file is too large to render.
See raw diff
|
|
|
data/p_ood_33/test.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:97372b7421582b1450c9fc646004c69adf91df83a263d885337d34d411fc2fd5
|
| 3 |
+
size 8064017
|
data/p_ood_33/train.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e9deb268742ec46cb0e033df77085e6c364ee62546a9de850aedee2f907c309d
|
| 3 |
+
size 60927054
|
data/p_ood_33/validation.csv
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4c9464984ee0cd1abaa9cb9a88c6c5adcfedd9252944539a9e5c765dc2355749
|
| 3 |
+
size 8257935
|
split_statistics.csv
ADDED
|
@@ -0,0 +1,13 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
dataset,split,pairs,positive,negative,unique_ligands_pubchem_id,unique_proteins_uniprot_id
|
| 2 |
+
p_ood_25,train,10492,5246,5246,8276,2921
|
| 3 |
+
p_ood_25,validation,1317,659,658,1072,619
|
| 4 |
+
p_ood_25,test,1317,658,659,1076,646
|
| 5 |
+
p_ood_28,train,10492,5246,5246,7424,2492
|
| 6 |
+
p_ood_28,validation,1317,659,658,1214,707
|
| 7 |
+
p_ood_28,test,1317,658,659,1196,707
|
| 8 |
+
p_ood_31,train,10492,5246,5246,8623,2665
|
| 9 |
+
p_ood_31,validation,1317,659,658,1242,803
|
| 10 |
+
p_ood_31,test,1317,658,659,1215,796
|
| 11 |
+
p_ood_33,train,10492,5246,5246,9442,4174
|
| 12 |
+
p_ood_33,validation,1317,659,658,1291,1075
|
| 13 |
+
p_ood_33,test,1317,658,659,1299,1046
|
split_statistics_table.csv
ADDED
|
@@ -0,0 +1,5 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
Split,Train pairs,Valid pairs,Test pairs,Pos:Neg,Unique proteins,Unique ligands
|
| 2 |
+
25% OOD,10492,1317,1317,6563:6563,3278,9527
|
| 3 |
+
28% OOD,10492,1317,1317,6563:6563,2966,8957
|
| 4 |
+
31% OOD,10492,1317,1317,6563:6563,3202,10083
|
| 5 |
+
33% OOD,10492,1317,1317,6563:6563,4807,11084
|