Upload dataset

README.md

@@ -1,3 +1,52 @@
 ---
 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
 ---

data/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:949eee83ef44ea57587da80cab51d8e5d7410ea84f6f803ac9a498fb46b8012c
+size 7348079

data/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:90a957bc5e7a3648bd54e622e180458cdc2ca86cf89e983a39128275e50d67dd
+size 73027476

data/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:a11dad87540b3f33ef4792ad617c073d043163f4ba44ac9994aa13914c8b2a28
+size 7175553