Upload 12 files
Browse files- .gitattributes +2 -0
- datasets/multispectra/smiles.npy +3 -0
- datasets/multispectra/spectra.h5 +3 -0
- datasets/multispectra/split_indices.p +3 -0
- datasets/multispectra/substructure_counts.h5 +3 -0
- datasets/multispectra/substructures.h5 +3 -0
- datasets/pretrain/pretrain_test_indices.npy +3 -0
- datasets/pretrain/pretrain_train_indices.npy +3 -0
- datasets/pretrain/pretrain_val_indices.npy +3 -0
- datasets/pretrain/smiles.npy +3 -0
- datasets/pretrain/split_indices.p +3 -0
- datasets/pretrain/substructure_counts.h5 +3 -0
- datasets/pretrain/substructures.h5 +3 -0
.gitattributes
CHANGED
|
@@ -57,3 +57,5 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
|
|
| 57 |
# Video files - compressed
|
| 58 |
*.mp4 filter=lfs diff=lfs merge=lfs -text
|
| 59 |
*.webm filter=lfs diff=lfs merge=lfs -text
|
|
|
|
|
|
|
|
|
| 57 |
# Video files - compressed
|
| 58 |
*.mp4 filter=lfs diff=lfs merge=lfs -text
|
| 59 |
*.webm filter=lfs diff=lfs merge=lfs -text
|
| 60 |
+
datasets/multispectra/split_indices.p filter=lfs diff=lfs merge=lfs -text
|
| 61 |
+
datasets/pretrain/split_indices.p filter=lfs diff=lfs merge=lfs -text
|
datasets/multispectra/smiles.npy
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d56f9e716a2ddf64f71dd24c3a85cfcf97f4b31d5fdae3e8d10a5efde2e2015b
|
| 3 |
+
size 39223614
|
datasets/multispectra/spectra.h5
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:41ae3a14cc7ccf9652ee158155ae84525ef2b959843dacbab0f0ad4cfd9defd5
|
| 3 |
+
size 9555550751
|
datasets/multispectra/split_indices.p
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2a9d68ecb904bc9626f800197ba51ab82b98e99a860bb59de9e9f0977ab9096b
|
| 3 |
+
size 3842824
|
datasets/multispectra/substructure_counts.h5
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e48f3289e41c8953e862487ac1fdf16958d24564e3d4d4f799185140c159fbf5
|
| 3 |
+
size 65790326
|
datasets/multispectra/substructures.h5
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:02d46dfc1fc79cce0dd121def7a5bd677d438bd8322d38f83687d0457ebe909a
|
| 3 |
+
size 59560955
|
datasets/pretrain/pretrain_test_indices.npy
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:339f355cbcb4fae3823fee9f297aceb7b2ce5a1e9c943f5927861d0337d0c68d
|
| 3 |
+
size 3027456
|
datasets/pretrain/pretrain_train_indices.npy
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ab86aa02ea75f6afeeb2ab2e3adb89d1207c593e4e5c669416a7acdf5a377b1d
|
| 3 |
+
size 24218664
|
datasets/pretrain/pretrain_val_indices.npy
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e76d8ebfbaaf42ee51f14ab16048602ac7b983df8a4bf55a75b1d04e24d145bd
|
| 3 |
+
size 3027440
|
datasets/pretrain/smiles.npy
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9c84baf105d5e0aa70d1327cb5f3bf5434a3a1afb978f9a85a243db72e46884a
|
| 3 |
+
size 126829953
|
datasets/pretrain/split_indices.p
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9fca26d25850afaefbbc95af44530ae37f9dcff2aa48e9b4e701582d2233ce65
|
| 3 |
+
size 71916366
|
datasets/pretrain/substructure_counts.h5
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b187f4b8fddc6b75e5d026d065c6544abc824e3a859ef1922766916f03636301
|
| 3 |
+
size 389924650
|
datasets/pretrain/substructures.h5
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:8b32a4fb2ba91ca3f4e1eecc873b02325a1a5eb2e681a9f7e56c1761cae5b29f
|
| 3 |
+
size 307709098
|