metadata
license: apache-2.0
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: validation
path: data/validation-*
- split: test
path: data/test-*
dataset_info:
features:
- name: name
dtype: string
- name: split
dtype: string
- name: dataset
dtype: string
- name: spec
dtype: string
- name: ionization
dtype: string
- name: formula
dtype: string
- name: smiles
dtype: string
- name: inchikey
dtype: string
- name: instrument
dtype: string
- name: fragments
list: string
- name: mzs
list: float64
- name: intens
list: float64
- name: __index_level_0__
dtype: int64
splits:
- name: train
num_bytes: 154220696
num_examples: 200830
- name: validation
num_bytes: 15286272
num_examples: 19929
- name: test
num_bytes: 15045352
num_examples: 18375
download_size: 87551108
dataset_size: 184552320