fedeotto commited on
Commit
583578f
·
verified ·
1 Parent(s): 5f63976

Upload 12 files

Browse files
.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