Upload dataset

README.md

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+---
+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-*
+---

data/test-00000-of-00001.parquet

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+size 191274349

data/train-00000-of-00002.parquet

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+size 345761203

data/train-00001-of-00002.parquet

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+size 344261379

data/validation-00000-of-00001.parquet

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