metadata
dataset_info:
features:
- name: dataset_id
dtype: large_string
- name: reaction_id
dtype: large_string
- name: reaction_smiles
dtype: large_string
- name: rxn_insight_reaction
dtype: large_string
- name: mapped_reaction_smiles
dtype: large_string
- name: reactant_smiles
dtype: large_string
- name: product_smiles
dtype: large_string
- name: reagent_smiles
dtype: large_string
- name: catalyst_smiles
dtype: large_string
- name: solvent_smiles
dtype: large_string
- name: rxn_insight_class
dtype: large_string
- name: rxn_insight_name
dtype: large_string
- name: rxn_insight_tag
dtype: large_string
- name: rxn_insight_tag2
dtype: large_string
- name: rxn_insight_scaffold
dtype: large_string
- name: rxn_insight_template
dtype: large_string
- name: yield_percent
dtype: float64
- name: yield_measurements
dtype: large_string
- name: temperature_value
dtype: float64
- name: temperature_units
dtype: large_string
- name: reaction_time_value
dtype: float64
- name: time_units
dtype: large_string
- name: procedure_details
dtype: large_string
- name: reference
dtype: large_string
- name: doi
dtype: large_string
- name: functional_groups_reactants
dtype: large_string
- name: functional_groups_products
dtype: large_string
- name: participating_rings_reactants
dtype: large_string
- name: participating_rings_products
dtype: large_string
- name: all_rings_products
dtype: large_string
- name: byproduct_smiles
dtype: large_string
- name: agent_smiles
dtype: large_string
- name: temperature_c
dtype: float64
- name: reaction_time_hours
dtype: float64
- name: reaction_smiles_with_agents
dtype: large_string
splits:
- name: train
num_bytes: 4397057784
num_examples: 1714259
download_size: 1039075428
dataset_size: 4397057784
configs:
- config_name: default
data_files:
- split: train
path: data/train-*