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Datasets:
topu-benchmark
/
topu-lbvs

Tasks:
Tabular Classification
Languages:
English
Size:
100K<n<1M
Tags:
chemistry
drug-discovery
virtual-screening
ligand-based
molecular-property-prediction
benchmark
License:
Dataset card Files
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  1. topu-lbvs-mini/aa2ar/s1/CHEMBL251_final_ecfp4.npz +3 -0
  2. topu-lbvs-mini/aa2ar/s1/CHEMBL251_topUnbiased_ecfp4.npz +3 -0
  3. topu-lbvs-mini/aa2ar/s1/splits/seed_2026/train_idx.npy +3 -0
  4. topu-lbvs-mini/aa2ar/s1/splits/seed_2026/val_idx.npy +3 -0
  5. topu-lbvs-mini/aa2ar/s1/splits/seed_2027/train_idx.npy +3 -0
  6. topu-lbvs-mini/aa2ar/s1/splits/seed_2027/val_idx.npy +3 -0
  7. topu-lbvs-mini/aa2ar/s1/splits/seed_2028/train_idx.npy +3 -0
  8. topu-lbvs-mini/aa2ar/s1/splits/seed_2028/val_idx.npy +3 -0
  9. topu-lbvs-mini/aa2ar/s3/CHEMBL251_test_s3_seed2026_ecfp4.npz +3 -0
  10. topu-lbvs-mini/aa2ar/s3/CHEMBL251_test_s3_seed2027_ecfp4.npz +3 -0
  11. topu-lbvs-mini/aa2ar/s3/CHEMBL251_test_s3_seed2028_ecfp4.npz +3 -0
  12. topu-lbvs-mini/aa2ar/s3/CHEMBL251_train_s3_seed2026_ecfp4.npz +3 -0
  13. topu-lbvs-mini/aa2ar/s3/CHEMBL251_train_s3_seed2027_ecfp4.npz +3 -0
  14. topu-lbvs-mini/aa2ar/s3/CHEMBL251_train_s3_seed2028_ecfp4.npz +3 -0
  15. topu-lbvs-mini/aa2ar/s3/CHEMBL251_val_s3_seed2026_ecfp4.npz +3 -0
  16. topu-lbvs-mini/aa2ar/s3/CHEMBL251_val_s3_seed2027_ecfp4.npz +3 -0
  17. topu-lbvs-mini/aa2ar/s3/CHEMBL251_val_s3_seed2028_ecfp4.npz +3 -0
  18. topu-lbvs-mini/cp3a4/s1/CHEMBL340_topUnbiased_ecfp4.npz +3 -0
  19. topu-lbvs-mini/cp3a4/s1/splits/seed_2028/val_idx.npy +3 -0
  20. topu-lbvs-mini/cp3a4/s3/CHEMBL340_test_s3_seed2027_ecfp4.npz +3 -0
  21. topu-lbvs-mini/cp3a4/s3/CHEMBL340_test_s3_seed2028_ecfp4.npz +3 -0
  22. topu-lbvs-mini/cp3a4/s3/CHEMBL340_val_s3_seed2028_ecfp4.npz +3 -0
  23. topu-lbvs-mini/kcnh2/s1/splits/seed_2026/train_idx.npy +3 -0
  24. topu-lbvs-mini/kcnh2/s1/splits/seed_2026/val_idx.npy +3 -0
  25. topu-lbvs-mini/kcnh2/s1/splits/seed_2027/train_idx.npy +3 -0
  26. topu-lbvs-mini/kcnh2/s1/splits/seed_2027/val_idx.npy +3 -0
  27. topu-lbvs-mini/kcnh2/s1/splits/seed_2028/train_idx.npy +3 -0
  28. topu-lbvs-mini/kcnh2/s3/CHEMBL240_train_s3_seed2026_ecfp4.npz +3 -0
  29. topu-lbvs-mini/kcnh2/s3/CHEMBL240_train_s3_seed2027_ecfp4.npz +3 -0
  30. topu-lbvs-mini/kcnh2/s3/CHEMBL240_train_s3_seed2028_ecfp4.npz +3 -0
  31. topu-lbvs-mini/kcnh2/s3/CHEMBL240_val_s3_seed2026_ecfp4.npz +3 -0
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