Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add BBBP-multimodal config via script
Browse files
BBBP-multimodal/test-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:82f705d175cfa4edc4958a6b4d60425e3612f4baff5336851ff57a45a616206a
|
| 3 |
+
size 4924149
|
BBBP-multimodal/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:848825d356121f208db88529957596dd53875e1feb6205c28fc5c1dc35e5c612
|
| 3 |
+
size 19701139
|
BBBP-multimodal/validation-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1174deac3cd93b67a370cf6930417e2f46d132cad610f538b31dc63c300a8b4f
|
| 3 |
+
size 3869186
|
README.md
CHANGED
|
@@ -1,5 +1,39 @@
|
|
| 1 |
---
|
| 2 |
dataset_info:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 3 |
- config_name: MUV_466-multimodal
|
| 4 |
features:
|
| 5 |
- name: IMAGE
|
|
@@ -527,6 +561,14 @@ dataset_info:
|
|
| 527 |
download_size: 95003680
|
| 528 |
dataset_size: 1398433797.82
|
| 529 |
configs:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 530 |
- config_name: MUV_466-multimodal
|
| 531 |
data_files:
|
| 532 |
- split: validation
|
|
|
|
| 1 |
---
|
| 2 |
dataset_info:
|
| 3 |
+
- config_name: BBBP-multimodal
|
| 4 |
+
features:
|
| 5 |
+
- name: IMAGE
|
| 6 |
+
dtype: image
|
| 7 |
+
- name: template
|
| 8 |
+
dtype: string
|
| 9 |
+
- name: template_original
|
| 10 |
+
dtype: string
|
| 11 |
+
- name: SMILES
|
| 12 |
+
dtype: string
|
| 13 |
+
- name: SMILES_ORIGINAL
|
| 14 |
+
dtype: string
|
| 15 |
+
- name: SELFIES
|
| 16 |
+
dtype: string
|
| 17 |
+
- name: InChI
|
| 18 |
+
dtype: string
|
| 19 |
+
- name: IUPAC
|
| 20 |
+
dtype: string
|
| 21 |
+
- name: split
|
| 22 |
+
dtype: string
|
| 23 |
+
- name: p_np
|
| 24 |
+
dtype: int64
|
| 25 |
+
splits:
|
| 26 |
+
- name: test
|
| 27 |
+
num_bytes: 32413539.67
|
| 28 |
+
num_examples: 2541
|
| 29 |
+
- name: train
|
| 30 |
+
num_bytes: 130615085.57
|
| 31 |
+
num_examples: 9611
|
| 32 |
+
- name: validation
|
| 33 |
+
num_bytes: 25413225.68
|
| 34 |
+
num_examples: 1764
|
| 35 |
+
download_size: 28494474
|
| 36 |
+
dataset_size: 188441850.92000002
|
| 37 |
- config_name: MUV_466-multimodal
|
| 38 |
features:
|
| 39 |
- name: IMAGE
|
|
|
|
| 561 |
download_size: 95003680
|
| 562 |
dataset_size: 1398433797.82
|
| 563 |
configs:
|
| 564 |
+
- config_name: BBBP-multimodal
|
| 565 |
+
data_files:
|
| 566 |
+
- split: test
|
| 567 |
+
path: BBBP-multimodal/test-*
|
| 568 |
+
- split: train
|
| 569 |
+
path: BBBP-multimodal/train-*
|
| 570 |
+
- split: validation
|
| 571 |
+
path: BBBP-multimodal/validation-*
|
| 572 |
- config_name: MUV_466-multimodal
|
| 573 |
data_files:
|
| 574 |
- split: validation
|