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README.md
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---
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dataset_info:
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features:
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- name: precursor_mz
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dtype: float32
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- name: precursor_charge
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dtype: int32
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- name: mzs
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sequence: float32
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- name: intensities
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sequence: float32
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- name: collision_energy
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dtype: string
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- name: instrument_type
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dtype: string
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- name: in_silico
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dtype: bool
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- name: smiles
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dtype: string
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- name: adduct
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dtype: string
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- name: compound_class
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dtype: string
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splits:
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- name: train
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num_bytes: 821110728
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num_examples: 747796
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- name: test
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num_bytes: 228202761
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num_examples: 207722
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- name: validation
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num_bytes: 91290188
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num_examples: 83089
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download_size: 1248961556
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dataset_size: 1140603677
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configs:
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- config_name: default
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data_files:
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- split: train
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path: data/train-*
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- split: test
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path: data/test-*
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- split: validation
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path: data/validation-*
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---
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data/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:b8e63c46625fa5f3ad24213befcd5f1c7d4a48f53cbc8a24abf2b0766ff15815
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size 249834668
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data/train-00000-of-00002.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:1711cc91bae35080b12e709dde774a803744c8aa6042eacdd582838fdbff3011
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size 449447934
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data/train-00001-of-00002.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:d16a72d05db555bbbdbc3a2db4286fd99a5b28cc4cb15b50975d231119a2d027
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size 449523521
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data/validation-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:85e45b4d91615dbcfc0ab35523c8f6224fcda314699614853dcd3bd6e893f8cd
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size 100155433
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