Upload dataset

README.md

@@ -76,6 +76,63 @@ dataset_info:
     num_examples: 2853590
   download_size: 524596502
   dataset_size: 1863153549
+- config_name: validated
+  features:
+  - name: Filename
+    dtype: large_string
+  - name: SMILES
+    dtype: large_string
+  - name: Page_in_file_mol
+    dtype: int64
+  - name: Page_in_file_para
+    dtype: int64
+  - name: Location_in_page_mol
+    dtype: large_string
+  - name: Location_in_page_para
+    dtype: large_string
+  - name: NMR_type
+    dtype: large_string
+  - name: NMR_frequency
+    dtype: large_string
+  - name: NMR_solvent
+    dtype: large_string
+  - name: NMR_shift_text
+    dtype: large_string
+  - name: NMR_note
+    dtype: large_string
+  - name: NMR_processed
+    dtype: large_string
+  - name: Atom_number
+    dtype: int64
+  - name: Atom_number_diff_env
+    dtype: int64
+  - name: Atom_number_abstract
+    dtype: int64
+  - name: smiles_actual
+    dtype: large_string
+  - name: text_in_pdf
+    dtype: large_string
+  - name: nmr_frequency_right
+    dtype: large_string
+  - name: nmr_solvent_right
+    dtype: large_string
+  - name: nmr_processed_right
+    dtype: large_string
+  - name: is_same_molecule
+    dtype: bool
+  - name: is_same_skeleton
+    dtype: bool
+  - name: num_chiral_centers
+    dtype: int64
+  splits:
+  - name: train
+    num_bytes: 290741
+    num_examples: 300
+  - name: test
+    num_bytes: 98905
+    num_examples: 200
+  download_size: 175952
+  dataset_size: 389646
 configs:
 - config_name: full
   data_files:
@@ -85,4 +142,10 @@ configs:
   data_files:
   - split: train
     path: ml_ready/train-*
+- config_name: validated
+  data_files:
+  - split: train
+    path: validated/train-*
+  - split: test
+    path: validated/test-*
 ---

validated/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+oid sha256:4ee23731b31c9f409baabbc828377a5ed9c663144739987aa7a6c5165eb599cc
+size 47504

validated/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:2eb667a052dca85bf8ddafcf1ae5bcf2232ab2b3b6b69b462a7d7b4b1c9b8cf4
+size 128448