Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add nr_ahr_tox21-multimodal config via script
Browse files- README.md +44 -0
- nr_ahr_tox21-multimodal/test-00000-of-00002.parquet +3 -0
- nr_ahr_tox21-multimodal/test-00001-of-00002.parquet +3 -0
- nr_ahr_tox21-multimodal/train-00000-of-00003.parquet +3 -0
- nr_ahr_tox21-multimodal/train-00001-of-00003.parquet +3 -0
- nr_ahr_tox21-multimodal/train-00002-of-00003.parquet +3 -0
- nr_ahr_tox21-multimodal/validation-00000-of-00001.parquet +3 -0
README.md
CHANGED
|
@@ -1658,6 +1658,42 @@ dataset_info:
|
|
| 1658 |
num_examples: 287696
|
| 1659 |
download_size: 1787306842
|
| 1660 |
dataset_size: 48642155993.72
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1661 |
- config_name: nr_ar_lbd_tox21-multimodal
|
| 1662 |
features:
|
| 1663 |
- name: IMAGE
|
|
@@ -2861,6 +2897,14 @@ configs:
|
|
| 2861 |
path: mona-multimodal/validation-*
|
| 2862 |
- split: test
|
| 2863 |
path: mona-multimodal/test-*
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 2864 |
- config_name: nr_ar_lbd_tox21-multimodal
|
| 2865 |
data_files:
|
| 2866 |
- split: train
|
|
|
|
| 1658 |
num_examples: 287696
|
| 1659 |
download_size: 1787306842
|
| 1660 |
dataset_size: 48642155993.72
|
| 1661 |
+
- config_name: nr_ahr_tox21-multimodal
|
| 1662 |
+
features:
|
| 1663 |
+
- name: IMAGE
|
| 1664 |
+
dtype: image
|
| 1665 |
+
- name: template
|
| 1666 |
+
dtype: string
|
| 1667 |
+
- name: template_original
|
| 1668 |
+
dtype: string
|
| 1669 |
+
- name: SMILES
|
| 1670 |
+
dtype: string
|
| 1671 |
+
- name: SMILES_ORIGINAL
|
| 1672 |
+
dtype: string
|
| 1673 |
+
- name: SELFIES
|
| 1674 |
+
dtype: string
|
| 1675 |
+
- name: InChI
|
| 1676 |
+
dtype: string
|
| 1677 |
+
- name: IUPAC
|
| 1678 |
+
dtype: string
|
| 1679 |
+
- name: split
|
| 1680 |
+
dtype: string
|
| 1681 |
+
- name: compound_id
|
| 1682 |
+
dtype: string
|
| 1683 |
+
- name: toxicity_NR-AhR
|
| 1684 |
+
dtype: int64
|
| 1685 |
+
splits:
|
| 1686 |
+
- name: train
|
| 1687 |
+
num_bytes: 1245495083.16
|
| 1688 |
+
num_examples: 82068
|
| 1689 |
+
- name: test
|
| 1690 |
+
num_bytes: 573719148.69
|
| 1691 |
+
num_examples: 36687
|
| 1692 |
+
- name: validation
|
| 1693 |
+
num_bytes: 214065686.62
|
| 1694 |
+
num_examples: 12726
|
| 1695 |
+
download_size: 125367069
|
| 1696 |
+
dataset_size: 2033279918.4700003
|
| 1697 |
- config_name: nr_ar_lbd_tox21-multimodal
|
| 1698 |
features:
|
| 1699 |
- name: IMAGE
|
|
|
|
| 2897 |
path: mona-multimodal/validation-*
|
| 2898 |
- split: test
|
| 2899 |
path: mona-multimodal/test-*
|
| 2900 |
+
- config_name: nr_ahr_tox21-multimodal
|
| 2901 |
+
data_files:
|
| 2902 |
+
- split: train
|
| 2903 |
+
path: nr_ahr_tox21-multimodal/train-*
|
| 2904 |
+
- split: test
|
| 2905 |
+
path: nr_ahr_tox21-multimodal/test-*
|
| 2906 |
+
- split: validation
|
| 2907 |
+
path: nr_ahr_tox21-multimodal/validation-*
|
| 2908 |
- config_name: nr_ar_lbd_tox21-multimodal
|
| 2909 |
data_files:
|
| 2910 |
- split: train
|
nr_ahr_tox21-multimodal/test-00000-of-00002.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0c602c22e79166168af2d5436e34681ccfac6cd7b8b302b07382a314ec6110a8
|
| 3 |
+
size 17362493
|
nr_ahr_tox21-multimodal/test-00001-of-00002.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5c2e9b19db02fcd7554537760514b8b32b4df7ac17e26bfbe86e67b0ee73192e
|
| 3 |
+
size 17703501
|
nr_ahr_tox21-multimodal/train-00000-of-00003.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9fb511c902bcd59518d99ca05cee658f0715d583cb5cab5c26042aa717e7ba15
|
| 3 |
+
size 26180984
|
nr_ahr_tox21-multimodal/train-00001-of-00003.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:93a9f6551d7c6845f17fd7d4ccb84438fd54813a7eaf009399919c176ac25cb7
|
| 3 |
+
size 25873816
|
nr_ahr_tox21-multimodal/train-00002-of-00003.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c4139740b166c9375071766abd69488c42be51388a23591ae4c459d86042e6a2
|
| 3 |
+
size 25150518
|
nr_ahr_tox21-multimodal/validation-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4d806999a96c336b7cf5366514efc4f4c238adc2ddfe62543d167056cba8c975
|
| 3 |
+
size 13095757
|