Add sarscov2_3clpro_diamond-multimodal config via script

README.md

@@ -1740,6 +1740,42 @@ dataset_info:
     num_examples: 510
   download_size: 1990922955
   dataset_size: 27833384005.24
+- config_name: sarscov2_3clpro_diamond-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: compound_id
+    dtype: int64
+  - name: activity_SARSCoV2_3CLPro
+    dtype: int64
+  splits:
+  - name: train
+    num_bytes: 182283463.4
+    num_examples: 11920
+  - name: validation
+    num_bytes: 20340014.0
+    num_examples: 1400
+  - name: test
+    num_bytes: 63771598.4
+    num_examples: 4220
+  download_size: 14468833
+  dataset_size: 266395075.8
 - config_name: sarscov2_vitro_touret-multimodal
   features:
   - name: IMAGE
@@ -2571,6 +2607,14 @@ configs:
     path: qm9-multimodal/validation-*
   - split: test
     path: qm9-multimodal/test-*
+- config_name: sarscov2_3clpro_diamond-multimodal
+  data_files:
+  - split: train
+    path: sarscov2_3clpro_diamond-multimodal/train-*
+  - split: validation
+    path: sarscov2_3clpro_diamond-multimodal/validation-*
+  - split: test
+    path: sarscov2_3clpro_diamond-multimodal/test-*
 - config_name: sarscov2_vitro_touret-multimodal
   data_files:
   - split: train

sarscov2_3clpro_diamond-multimodal/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+size 3465377

sarscov2_3clpro_diamond-multimodal/train-00000-of-00001.parquet

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+size 9894910

sarscov2_3clpro_diamond-multimodal/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+oid sha256:85876a0cb9237c3c9b1dbb2c50bc0e9ab0f91bf98afde4fb5149eb325950d62f
+size 1108546