metadata
dataset_info:
- config_name: full
features:
- name: Filename
dtype: string
- name: SMILES
dtype: string
- name: Page_in_file_mol
dtype: float64
- name: Page_in_file_para
dtype: int64
- name: Location_in_page_mol
dtype: string
- name: Location_in_page_para
dtype: string
- name: NMR_type
dtype: string
- name: NMR_frequency
dtype: string
- name: NMR_solvent
dtype: string
- name: NMR_shift_text
dtype: string
- name: NMR_note
dtype: string
- name: NMR_processed
dtype: string
- name: Atom_number
dtype: int64
- name: Atom_number_diff_env
dtype: int64
- name: Atom_number_abstract
dtype: float64
splits:
- name: train
num_bytes: 2307351652
num_examples: 3372987
download_size: 656926319
dataset_size: 2307351652
- config_name: ml_ready
features:
- name: Filename
dtype: string
- name: SMILES
dtype: string
- name: Page_in_file_mol
dtype: float64
- name: Page_in_file_para
dtype: int64
- name: Location_in_page_mol
dtype: string
- name: Location_in_page_para
dtype: string
- name: NMR_type
dtype: string
- name: NMR_frequency
dtype: string
- name: NMR_solvent
dtype: string
- name: NMR_shift_text
dtype: string
- name: NMR_note
dtype: string
- name: NMR_processed
dtype: string
- name: Atom_number
dtype: int64
- name: Atom_number_diff_env
dtype: int64
- name: Atom_number_abstract
dtype: float64
splits:
- name: train
num_bytes: 1863153549
num_examples: 2853590
download_size: 524596502
dataset_size: 1863153549
- config_name: validated
features:
- name: Filename
dtype: large_string
- name: SMILES
dtype: large_string
- name: Page_in_file_mol
dtype: int64
- name: Page_in_file_para
dtype: int64
- name: Location_in_page_mol
dtype: large_string
- name: Location_in_page_para
dtype: large_string
- name: NMR_type
dtype: large_string
- name: NMR_frequency
dtype: large_string
- name: NMR_solvent
dtype: large_string
- name: NMR_shift_text
dtype: large_string
- name: NMR_note
dtype: large_string
- name: NMR_processed
dtype: large_string
- name: Atom_number
dtype: int64
- name: Atom_number_diff_env
dtype: int64
- name: Atom_number_abstract
dtype: int64
- name: smiles_actual
dtype: large_string
- name: text_in_pdf
dtype: large_string
- name: nmr_frequency_right
dtype: large_string
- name: nmr_solvent_right
dtype: large_string
- name: nmr_processed_right
dtype: large_string
- name: is_same_molecule
dtype: bool
- name: is_same_skeleton
dtype: bool
- name: num_chiral_centers
dtype: int64
splits:
- name: train
num_bytes: 290741
num_examples: 300
- name: test
num_bytes: 98905
num_examples: 200
download_size: 175952
dataset_size: 389646
configs:
- config_name: ml_ready
data_files:
- split: train
path: ml_ready/train-*