README.md

---
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-*
---