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Datasets:
raulsofia
/
qm9

Modalities:
Text
Formats:
csv
Size:
100K - 1M
Tags:
chemistry
drug-design
molecules
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files
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1
raulsofia commited on
Commit
bb72bcf
·
verified ·
1 Parent(s): b3deaa3

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Files changed (7) hide show
  1. .gitattributes +2 -0
  2. test/test_confs.sdf +3 -0
  3. test/test_counts.csv +0 -0
  4. test/test_smiles.smi +0 -0
  5. train/train_confs.sdf +3 -0
  6. train/train_counts.csv +0 -0
  7. train/train_smiles.smi +0 -0
.gitattributes CHANGED
@@ -61,3 +61,5 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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  qm9_counts.csv filter=lfs diff=lfs merge=lfs -text
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  qm9.sdf filter=lfs diff=lfs merge=lfs -text
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  qm9.csv filter=lfs diff=lfs merge=lfs -text
 
 
 
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  qm9_counts.csv filter=lfs diff=lfs merge=lfs -text
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  qm9.sdf filter=lfs diff=lfs merge=lfs -text
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  qm9.csv filter=lfs diff=lfs merge=lfs -text
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+ test/test_confs.sdf filter=lfs diff=lfs merge=lfs -text
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+ train/train_confs.sdf filter=lfs diff=lfs merge=lfs -text
test/test_confs.sdf ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:20d55fa9166872bee2f04b69612cceb15e487c8ebdb55ccb629f7a712e3204be
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+ size 43056491
test/test_counts.csv ADDED
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test/test_smiles.smi ADDED
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train/train_confs.sdf ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:f2eb03e48a87d6d1c915c6eb5f7b2cc9aa3a6847fa5d648f422865e4f5f77100
3
+ size 172401662
train/train_counts.csv ADDED
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train/train_smiles.smi ADDED
The diff for this file is too large to render. See raw diff