Upload dataset
Browse files- README.md +5 -8
- split_90-5-5/test-00000-of-00008.parquet +3 -0
- split_90-5-5/test-00001-of-00008.parquet +3 -0
- split_90-5-5/test-00002-of-00008.parquet +3 -0
- split_90-5-5/test-00003-of-00008.parquet +3 -0
- split_90-5-5/test-00004-of-00008.parquet +3 -0
- split_90-5-5/test-00005-of-00008.parquet +3 -0
- split_90-5-5/test-00006-of-00008.parquet +3 -0
- split_90-5-5/test-00007-of-00008.parquet +3 -0
- split_90-5-5/train-00000-of-00020.parquet +3 -0
- split_90-5-5/train-00001-of-00020.parquet +3 -0
- split_90-5-5/train-00002-of-00020.parquet +3 -0
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- split_90-5-5/train-00005-of-00020.parquet +3 -0
- split_90-5-5/train-00006-of-00020.parquet +3 -0
- split_90-5-5/train-00007-of-00020.parquet +3 -0
- split_90-5-5/train-00008-of-00020.parquet +3 -0
- split_90-5-5/train-00009-of-00020.parquet +3 -0
- split_90-5-5/train-00010-of-00020.parquet +3 -0
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- split_90-5-5/train-00015-of-00020.parquet +3 -0
- split_90-5-5/train-00016-of-00020.parquet +3 -0
- split_90-5-5/train-00017-of-00020.parquet +3 -0
- split_90-5-5/train-00018-of-00020.parquet +3 -0
- split_90-5-5/train-00019-of-00020.parquet +3 -0
- split_90-5-5/val-00000-of-00008.parquet +3 -0
- split_90-5-5/val-00001-of-00008.parquet +3 -0
- split_90-5-5/val-00002-of-00008.parquet +3 -0
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- split_90-5-5/val-00005-of-00008.parquet +3 -0
- split_90-5-5/val-00006-of-00008.parquet +3 -0
- split_90-5-5/val-00007-of-00008.parquet +3 -0
README.md
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@@ -31,9 +31,6 @@ dataset_info:
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dtype: float64
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- name: nH
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dtype: float64
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- name: hsqc_nmr_spectrum
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list:
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list: float32
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list:
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list: float64
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download_size:
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dataset_size:
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---
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The dataset from [Albert's et al](https://rxn4chemistry.github.io/multimodal-spectroscopic-dataset/), downloaded from [zenodo](https://zenodo.org/records/14770232). It's on here for easier access and organisation.
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download_size: 105391041734
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dataset_size: 105756805419
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---
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The dataset from [Albert's et al](https://rxn4chemistry.github.io/multimodal-spectroscopic-dataset/), downloaded from [zenodo](https://zenodo.org/records/14770232). It's on here for easier access and organisation.
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:558bc65de1ba5d1da8e6150103d9251fccd6d8e9a7de92bb7b6c173e6f4100be
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| 3 |
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size 658716334
|
split_90-5-5/val-00007-of-00008.parquet
ADDED
|
@@ -0,0 +1,3 @@
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:64aab1d922d67cac72aa0c1a076b301372a830f87fd96f5e29cc53dc65f36209
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| 3 |
+
size 658633998
|