metadata
dataset_info:
features:
- name: precursor_mz
dtype: float32
- name: precursor_charge
dtype: int32
- name: mzs
sequence: float32
- name: intensities
sequence: float32
- name: collision_energy
dtype: int32
- name: instrument_type
dtype: int32
- name: in_silico
dtype: bool
- name: smiles
dtype: string
- name: adduct
dtype: string
- name: compound_class
dtype: string
splits:
- name: train
num_bytes: 650793410
num_examples: 582714
- name: test
num_bytes: 180353136
num_examples: 161866
- name: validation
num_bytes: 72300874
num_examples: 64746
download_size: 957950926
dataset_size: 903447420
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: test
path: data/test-*
- split: validation
path: data/validation-*