Add qm9-multimodal config via script (part 00001-of-00002)

README.md

@@ -1320,6 +1320,70 @@ dataset_info:
     num_examples: 4577
   download_size: 5136312
   dataset_size: 93939197.99
+- config_name: qm9-multimodal
+  features:
+  - name: IMAGE
+    dtype: image
+  - name: template
+    dtype: string
+  - name: template_original
+    dtype: string
+  - name: SMILES
+    dtype: string
+  - name: SMILES_ORIGINAL
+    dtype: string
+  - name: SELFIES
+    dtype: string
+  - name: InChI
+    dtype: string
+  - name: IUPAC
+    dtype: string
+  - name: split
+    dtype: string
+  - name: inchi
+    dtype: string
+  - name: rotational_constant_a
+    dtype: float64
+  - name: rotational_constant_b
+    dtype: float64
+  - name: rotational_constant_c
+    dtype: float64
+  - name: dipole_moment
+    dtype: float64
+  - name: polarizability
+    dtype: float64
+  - name: homo
+    dtype: float64
+  - name: lumo
+    dtype: float64
+  - name: gap
+    dtype: float64
+  - name: r2
+    dtype: float64
+  - name: zero_point_energy
+    dtype: float64
+  - name: u0
+    dtype: float64
+  - name: u298
+    dtype: float64
+  - name: h298
+    dtype: float64
+  - name: g298
+    dtype: float64
+  - name: heat_capacity
+    dtype: float64
+  splits:
+  - name: train
+    num_bytes: 27819924799.24
+    num_examples: 1893052
+  - name: validation
+    num_bytes: 6197754.0
+    num_examples: 357
+  - name: test
+    num_bytes: 7261452.0
+    num_examples: 510
+  download_size: 1990922955
+  dataset_size: 27833384005.24
 - config_name: sarscov2_vitro_touret-multimodal
   features:
   - name: IMAGE
@@ -2035,6 +2099,14 @@ configs:
   data_files:
   - split: train
     path: opv-multimodal/train-*
+- config_name: qm9-multimodal
+  data_files:
+  - split: train
+    path: qm9-multimodal/train-*
+  - split: validation
+    path: qm9-multimodal/validation-*
+  - split: test
+    path: qm9-multimodal/test-*
 - config_name: sarscov2_vitro_touret-multimodal
   data_files:
   - split: train

qm9-multimodal/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:da1b94af2e382043c7672e395f3143f39eeb4156d2da1346f655c3a3897563ab
+size 517171

qm9-multimodal/train-00050-of-00056.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e3208ea3d9ebc90bbf641146ad68f5a1de19519d363c418b83d6cc897bccd5a2
+size 30349219

qm9-multimodal/train-00051-of-00056.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1dd2405265e1f7b9fcc8c54969e52093ee677290c8794f462cff0ab96c631e90
+size 33529448

qm9-multimodal/train-00052-of-00056.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5ae9477b3b4c5c6301052be6b9f8e2bf7de803ee089d87b1aa4eebd69d2b5e71
+size 34087783

qm9-multimodal/train-00053-of-00056.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f161494d64bcdac302d574ae413821779dcae0694e8d26711da4d48d8256adb9
+size 35168581

qm9-multimodal/train-00054-of-00056.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d8e306d326ae9ba2843b62f06af507b5de699dc961607884c47fbef1b9bf659d
+size 35489265

qm9-multimodal/train-00055-of-00056.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3eadf844527ffe1de4f4d65ce0b480e9df9c1d23a036314ddd50e9dc37eb9f12
+size 35700430

qm9-multimodal/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:04eb41706db713d7e2fe54c07e6729b5da28e54c9604938a76778cfe487b5db0
+size 434215