Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add chebi_20-multimodal config via script
Browse files- README.md +44 -0
- chebi_20-multimodal/test-00000-of-00001.parquet +3 -0
- chebi_20-multimodal/train-00000-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00001-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00002-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00003-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00004-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00005-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00006-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00007-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00008-of-00010.parquet +3 -0
- chebi_20-multimodal/train-00009-of-00010.parquet +3 -0
- chebi_20-multimodal/validation-00000-of-00001.parquet +3 -0
README.md
CHANGED
@@ -68,6 +68,42 @@ dataset_info:
|
|
68 |
num_examples: 100
|
69 |
download_size: 214349
|
70 |
dataset_size: 1080496.0
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
71 |
- config_name: hiv-multimodal
|
72 |
features:
|
73 |
- name: IMAGE
|
@@ -153,6 +189,14 @@ configs:
|
|
153 |
data_files:
|
154 |
- split: train
|
155 |
path: aminoacids-multimodal/train-*
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
156 |
- config_name: hiv-multimodal
|
157 |
data_files:
|
158 |
- split: train
|
|
|
68 |
num_examples: 100
|
69 |
download_size: 214349
|
70 |
dataset_size: 1080496.0
|
71 |
+
- config_name: chebi_20-multimodal
|
72 |
+
features:
|
73 |
+
- name: IMAGE
|
74 |
+
dtype: image
|
75 |
+
- name: template
|
76 |
+
dtype: string
|
77 |
+
- name: template_original
|
78 |
+
dtype: string
|
79 |
+
- name: SMILES
|
80 |
+
dtype: string
|
81 |
+
- name: SMILES_ORIGINAL
|
82 |
+
dtype: string
|
83 |
+
- name: SELFIES
|
84 |
+
dtype: string
|
85 |
+
- name: InChI
|
86 |
+
dtype: string
|
87 |
+
- name: IUPAC
|
88 |
+
dtype: string
|
89 |
+
- name: split
|
90 |
+
dtype: string
|
91 |
+
- name: compound_id
|
92 |
+
dtype: int64
|
93 |
+
- name: description
|
94 |
+
dtype: string
|
95 |
+
splits:
|
96 |
+
- name: train
|
97 |
+
num_bytes: 4595262069.3
|
98 |
+
num_examples: 328390
|
99 |
+
- name: validation
|
100 |
+
num_bytes: 2511842.0
|
101 |
+
num_examples: 160
|
102 |
+
- name: test
|
103 |
+
num_bytes: 4115932.0
|
104 |
+
num_examples: 330
|
105 |
+
download_size: 511908414
|
106 |
+
dataset_size: 4601889843.3
|
107 |
- config_name: hiv-multimodal
|
108 |
features:
|
109 |
- name: IMAGE
|
|
|
189 |
data_files:
|
190 |
- split: train
|
191 |
path: aminoacids-multimodal/train-*
|
192 |
+
- config_name: chebi_20-multimodal
|
193 |
+
data_files:
|
194 |
+
- split: train
|
195 |
+
path: chebi_20-multimodal/train-*
|
196 |
+
- split: validation
|
197 |
+
path: chebi_20-multimodal/validation-*
|
198 |
+
- split: test
|
199 |
+
path: chebi_20-multimodal/test-*
|
200 |
- config_name: hiv-multimodal
|
201 |
data_files:
|
202 |
- split: train
|
chebi_20-multimodal/test-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:9646e90de7cc5dd365eecc6655b803469d0d656dfae607d4a72baed368cec17c
|
3 |
+
size 434716
|
chebi_20-multimodal/train-00000-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:0615e5b96dfbed2cbdd071f1cd4cfaad48c44c00c57f5e55c5cd505b32ea70ea
|
3 |
+
size 47497955
|
chebi_20-multimodal/train-00001-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:1e6316372f105ffdb38807c92e1bc84c65eac802b6cc52bc551035969f35cc5c
|
3 |
+
size 51700284
|
chebi_20-multimodal/train-00002-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:1743626b3c212ac7dbcc3b4aa6c69c4e9676ed14d7280d34ad2f6bdff1edd67e
|
3 |
+
size 51441122
|
chebi_20-multimodal/train-00003-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:2cd495cc8ad8b1e3d21bcbe276dee67f4ed9042c405631fa6bf4a676f4b5f33c
|
3 |
+
size 51834179
|
chebi_20-multimodal/train-00004-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:ef715ff627db94d203626367661c64ef2b4029c31e161a458bda123654d24032
|
3 |
+
size 51795425
|
chebi_20-multimodal/train-00005-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:2ab1a6655b74fa42ae8de4318d05a89018f0a11f37ae9d6773c04f3edb539ab3
|
3 |
+
size 50986875
|
chebi_20-multimodal/train-00006-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:63ba67d1736f688a9b8292aba51ba3dce078ad490617c0c8c90407e2a3276328
|
3 |
+
size 51439220
|
chebi_20-multimodal/train-00007-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:dbd2ce9e601c248e8416260fa6dc4865ea4a338218190f67fa400922fbc1d5fa
|
3 |
+
size 51647365
|
chebi_20-multimodal/train-00008-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:728ceedfe93f27b06c2301417920897d6730ced66216d662dbe75046c0ffb6a0
|
3 |
+
size 51136716
|
chebi_20-multimodal/train-00009-of-00010.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:6cf77cf9924dad43f65bed446b1a826c3817d210560f35bb522af1db7ae30eae
|
3 |
+
size 51728676
|
chebi_20-multimodal/validation-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:86bb6244d1489f91c90af68e4149cb5249400f01d3fee32e3a3c586af7be11e3
|
3 |
+
size 265881
|