Upload 7 files
Browse filesmolecule_metadata.csv, mayer_bond_orders.csv, mayer_valence.csv,orbital_profile_final.csv, splits.csv, atom_details.csv, target_summary_final.csv added
- .gitattributes +1 -0
- atom_details_final.csv +0 -0
- mayer_bond_orders.csv +0 -0
- mayer_valence.csv +0 -0
- molecule_metadata.csv +0 -0
- orbital_profile_final.csv +3 -0
- splits.csv +3968 -0
- target_summary_final.csv +0 -0
.gitattributes
CHANGED
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@@ -58,3 +58,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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+
orbital_profile_final.csv filter=lfs diff=lfs merge=lfs -text
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atom_details_final.csv
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The diff for this file is too large to render.
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mayer_bond_orders.csv
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mayer_valence.csv
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molecule_metadata.csv
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The diff for this file is too large to render.
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orbital_profile_final.csv
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@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:ae084d6aa01ca863151a060233e04f5103c546b7fa3fe0c19e8e1f598dabc01d
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size 17925275
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splits.csv
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@@ -0,0 +1,3968 @@
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14523,train
|
| 3910 |
+
125939,train
|
| 3911 |
+
121629,val
|
| 3912 |
+
20286,train
|
| 3913 |
+
37073,train
|
| 3914 |
+
37069,train
|
| 3915 |
+
26139,train
|
| 3916 |
+
17843,train
|
| 3917 |
+
2016,val
|
| 3918 |
+
42680,train
|
| 3919 |
+
26288,train
|
| 3920 |
+
6608,train
|
| 3921 |
+
24346,train
|
| 3922 |
+
1728,train
|
| 3923 |
+
14740,val
|
| 3924 |
+
62631,val
|
| 3925 |
+
230,train
|
| 3926 |
+
72404,val
|
| 3927 |
+
62921,train
|
| 3928 |
+
20888,train
|
| 3929 |
+
20552,val
|
| 3930 |
+
2443,train
|
| 3931 |
+
11083,val
|
| 3932 |
+
77392,train
|
| 3933 |
+
518,train
|
| 3934 |
+
6582,train
|
| 3935 |
+
1515,train
|
| 3936 |
+
1174,train
|
| 3937 |
+
55637,val
|
| 3938 |
+
10374,val
|
| 3939 |
+
6613,train
|
| 3940 |
+
73780,train
|
| 3941 |
+
89,train
|
| 3942 |
+
57846,train
|
| 3943 |
+
20116,train
|
| 3944 |
+
50525,train
|
| 3945 |
+
38402,train
|
| 3946 |
+
6941,train
|
| 3947 |
+
14157,test
|
| 3948 |
+
117688,train
|
| 3949 |
+
57240,val
|
| 3950 |
+
8426,train
|
| 3951 |
+
86536,train
|
| 3952 |
+
27153,train
|
| 3953 |
+
106347,test
|
| 3954 |
+
14563,test
|
| 3955 |
+
37071,train
|
| 3956 |
+
68899,test
|
| 3957 |
+
117641,train
|
| 3958 |
+
3244,test
|
| 3959 |
+
36959,train
|
| 3960 |
+
36822,train
|
| 3961 |
+
2610,test
|
| 3962 |
+
523,train
|
| 3963 |
+
19303,train
|
| 3964 |
+
24998,train
|
| 3965 |
+
122700,train
|
| 3966 |
+
15016,train
|
| 3967 |
+
123864,train
|
| 3968 |
+
68445,train
|
target_summary_final.csv
ADDED
|
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|
|
|