Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
File size: 1,952 Bytes
7745f66 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 668ff29 b0657b4 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 58891d9 7745f66 b0657b4 668ff29 b0657b4 7745f66 58891d9 7745f66 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 |
---
dataset_info:
- config_name: MUV_644-multimodal
features:
- name: IMAGE
dtype: image
- name: template
dtype: string
- name: template_original
dtype: string
- name: SMILES
dtype: string
- name: SMILES_ORIGINAL
dtype: string
- name: SELFIES
dtype: string
- name: InChI
dtype: string
- name: IUPAC
dtype: string
- name: split
dtype: string
- name: MUV-644
dtype: int64
splits:
- name: train
num_bytes: 644603403.95
num_examples: 50685
- name: validation
num_bytes: 142765090.65
num_examples: 11095
- name: test
num_bytes: 140696973.15
num_examples: 11145
download_size: 186042451
dataset_size: 928065467.75
- config_name: nr_aromatase_tox21-multimodal
features:
- name: IMAGE
dtype: image
- name: template
dtype: string
- name: template_original
dtype: string
- name: SMILES
dtype: string
- name: SMILES_ORIGINAL
dtype: string
- name: SELFIES
dtype: string
- name: InChI
dtype: string
- name: IUPAC
dtype: string
- name: split
dtype: string
- name: compound_id
dtype: string
- name: toxicity_NR-Aromatase
dtype: int64
splits:
- name: train
num_bytes: 797420616.36
num_examples: 72828
- name: test
num_bytes: 387832261.33
num_examples: 33159
- name: validation
num_bytes: 140139402.75
num_examples: 11025
download_size: 84869920
dataset_size: 1325392280.44
configs:
- config_name: MUV_644-multimodal
data_files:
- split: train
path: MUV_644-multimodal/train-*
- split: validation
path: MUV_644-multimodal/validation-*
- split: test
path: MUV_644-multimodal/test-*
- config_name: nr_aromatase_tox21-multimodal
data_files:
- split: train
path: nr_aromatase_tox21-multimodal/train-*
- split: test
path: nr_aromatase_tox21-multimodal/test-*
- split: validation
path: nr_aromatase_tox21-multimodal/validation-*
---
|