Upload dataset

README.md

@@ -1,3 +1,82 @@
+---
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: Sanitized Dataset/train-*
+dataset_info:
+  features:
+  - name: inputs["catalyst"].components[0].identifiers[0].value
+    dtype: string
+  - name: inputs["catalyst"].components[0].identifiers[1].value
+    dtype: string
+  - name: inputs["aryl halide"].components[0].identifiers[0].value
+    dtype: string
+  - name: inputs["base"].components[0].identifiers[0].value
+    dtype: string
+  - name: inputs["base"].components[0].identifiers[1].value
+    dtype: string
+  - name: inputs["additive"].components[0].identifiers[0].type
+    dtype: string
+  - name: inputs["additive"].components[0].identifiers[0].value
+    dtype: string
+  - name: inputs["additive"].components[0].identifiers[1].type
+    dtype: string
+  - name: inputs["additive"].components[0].identifiers[1].value
+    dtype: string
+  - name: inputs["additive"].components[0].amount.volume.value
+    dtype: float64
+  - name: inputs["additive"].components[0].amount.volume.units
+    dtype: string
+  - name: inputs["additive"].components[0].amount.volume_includes_solutes
+    dtype: bool
+  - name: inputs["additive"].components[0].reaction_role
+    dtype: string
+  - name: inputs["additive"].components[0].source.vendor
+    dtype: string
+  - name: outcomes[0].products[0].identifiers[0].value
+    dtype: string
+  - name: outcomes[0].products[0].measurements[0].percentage.value
+    dtype: float64
+  - name: provenance.record_modified[0].time.value
+    dtype: string
+  - name: provenance.record_modified[1].time.value
+    dtype: string
+  - name: provenance.record_modified[2].time.value
+    dtype: string
+  - name: reaction_id
+    dtype: string
+  - name: inputs["additive"].components[0].amount.moles.value
+    dtype: float64
+  - name: inputs["additive"].components[0].amount.moles.units
+    dtype: string
+  - name: inputs["additive"].components[1].identifiers[0].type
+    dtype: string
+  - name: inputs["additive"].components[1].identifiers[0].value
+    dtype: string
+  - name: inputs["additive"].components[1].identifiers[1].type
+    dtype: string
+  - name: inputs["additive"].components[1].identifiers[1].value
+    dtype: string
+  - name: inputs["additive"].components[1].amount.volume.value
+    dtype: float64
+  - name: inputs["additive"].components[1].amount.volume.units
+    dtype: string
+  - name: inputs["additive"].components[1].amount.volume_includes_solutes
+    dtype: bool
+  - name: inputs["additive"].components[1].reaction_role
+    dtype: string
+  - name: inputs["additive"].components[1].preparations[0].type
+    dtype: string
+  - name: inputs["additive"].components[1].source.vendor
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 2299590
+    num_examples: 4312
+  download_size: 313958
+  dataset_size: 2299590
+---
 BIOINF595 W2025 Bioactivity Project Dataset
 Author: Carl Mauro
 Uses data from the following publication, accessed through the Open Reaction Database (https://open-reaction-database.org/)

Sanitized Dataset/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:de8eaf296ddc216f01ed10722cafc52c59acb6ac4500036c69f5d002a2a3ae29
+size 313958