metadata
license: cc-by-4.0
tags:
- chemistry
- molecular-qa
configs:
- config_name: property
data_files:
- split: train
path: property/train.parquet
- split: validation
path: property/validation.parquet
- split: test
path: property/test.parquet
- config_name: source
data_files:
- split: train
path: source/train.parquet
- split: validation
path: source/validation.parquet
- split: test
path: source/test.parquet
- config_name: structure
data_files:
- split: train
path: structure/train.parquet
- split: validation
path: structure/validation.parquet
- split: test
path: structure/test.parquet
- config_name: usage
data_files:
- split: train
path: usage/train.parquet
- split: validation
path: usage/validation.parquet
- split: test
path: usage/test.parquet
- config_name: all
data_files:
- split: train
path:
- property/train.parquet
- source/train.parquet
- structure/train.parquet
- usage/train.parquet
- split: validation
path:
- property/validation.parquet
- source/validation.parquet
- structure/validation.parquet
- usage/validation.parquet
- split: test
path:
- property/test.parquet
- source/test.parquet
- structure/test.parquet
- usage/test.parquet
MoleculeQA, hub-native
IDEA-AI4S/MoleculeQA (cd1bcb922c9127b57e0944cdb605baccaa98ef9d), restructured into one subset per category with the unified columns ground_truth, response and scoring_context added beside every original one. See scripts/datasets/README.md in the AutoDataSci repository for what those columns mean.
Row counts: {"train": 49974, "validation": 5795, "test": 5786}.
{
"property": {
"train": 4826,
"validation": 698,
"test": 731
},
"source": {
"train": 11061,
"validation": 1225,
"test": 1343
},
"structure": {
"train": 32171,
"validation": 3314,
"test": 3113
},
"usage": {
"train": 1916,
"validation": 558,
"test": 599
}
}