karina-zadorozhny commited on
Commit
aa8a801
·
verified ·
1 Parent(s): ed2c9a8

Upload dataset

Browse files
CHEMBL239_EC50/test-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:5b59fa878b090b25a8dd888ae306e7e5b5f5feab745d1060d090c99212afde00
3
+ size 19657
CHEMBL239_EC50/train-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1b8ed28f0149e59488ae81c5815070f469fcaeb21adc5301a41fb30fb1f5f658
3
+ size 58465
README.md CHANGED
@@ -290,6 +290,35 @@ dataset_info:
290
  num_examples: 213
291
  download_size: 53781
292
  dataset_size: 122676
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
293
  - config_name: CHEMBL244_Ki
294
  features:
295
  - name: smiles
@@ -467,6 +496,12 @@ configs:
467
  path: CHEMBL238_Ki/train-*
468
  - split: test
469
  path: CHEMBL238_Ki/test-*
 
 
 
 
 
 
470
  - config_name: CHEMBL244_Ki
471
  data_files:
472
  - split: train
 
290
  num_examples: 213
291
  download_size: 53781
292
  dataset_size: 122676
293
+ - config_name: CHEMBL239_EC50
294
+ features:
295
+ - name: smiles
296
+ dtype: string
297
+ - name: exp_mean [nM]
298
+ dtype: float64
299
+ - name: y
300
+ dtype: float64
301
+ - name: cliff_mol
302
+ dtype: int64
303
+ - name: activity_value
304
+ dtype: float64
305
+ - name: protein_sequence
306
+ dtype: 'null'
307
+ - name: chembl_id
308
+ dtype: string
309
+ - name: task
310
+ dtype: string
311
+ - name: __index_level_0__
312
+ dtype: int64
313
+ splits:
314
+ - name: train
315
+ num_bytes: 177723
316
+ num_examples: 1374
317
+ - name: test
318
+ num_bytes: 44742
319
+ num_examples: 347
320
+ download_size: 78122
321
+ dataset_size: 222465
322
  - config_name: CHEMBL244_Ki
323
  features:
324
  - name: smiles
 
496
  path: CHEMBL238_Ki/train-*
497
  - split: test
498
  path: CHEMBL238_Ki/test-*
499
+ - config_name: CHEMBL239_EC50
500
+ data_files:
501
+ - split: train
502
+ path: CHEMBL239_EC50/train-*
503
+ - split: test
504
+ path: CHEMBL239_EC50/test-*
505
  - config_name: CHEMBL244_Ki
506
  data_files:
507
  - split: train