README.md

---
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
---