Upload dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: crystal_id
+    dtype: int64
+  - name: Zeolite
+    dtype: string
+  - name: SMILES
+    dtype: string
+  - name: InchiKey
+    dtype: string
+  - name: Ligand formula
+    dtype: string
+  - name: Loading
+    dtype: int64
+  - name: SCScore
+    dtype: float64
+  - name: Volume (Angstrom3)
+    dtype: float64
+  - name: Axis 1 (Angstrom)
+    dtype: float64
+  - name: Axis 2 (Angstrom)
+    dtype: float64
+  - name: In literature?
+    dtype: int64
+  - name: lattice
+    sequence:
+      sequence: float64
+  - name: nxyz
+    sequence:
+      sequence: float64
+  - name: Binding (SiO2)
+    dtype: float64
+  - name: Binding (OSDA)
+    dtype: float64
+  - name: Directivity (SiO2)
+    dtype: float64
+  - name: Competition (SiO2)
+    dtype: float64
+  - name: Competition (OSDA)
+    dtype: float64
+  - name: Templating
+    dtype: float64
+  splits:
+  - name: train
+    num_bytes: 1218526382
+    num_examples: 112425
+  download_size: 904434024
+  dataset_size: 1218526382
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+---

data/train-00000-of-00003.parquet

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+size 287606453

data/train-00001-of-00003.parquet

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+size 317471843

data/train-00002-of-00003.parquet

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