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update biot5+ data

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  1. splits_plus/mol_multi/test_tasks.txt +7 -0
  2. splits_plus/mol_multi/train_tasks.txt +7 -0
  3. splits_plus/mol_multi/validation_tasks.txt +7 -0
  4. splits_plus/molinst/eval/molecule_description_guided_molecule_design/test_tasks.txt +1 -0
  5. splits_plus/molinst/eval/molecule_description_guided_molecule_design/train_tasks.txt +1 -0
  6. splits_plus/molinst/eval/molecule_description_guided_molecule_design/validation_tasks.txt +1 -0
  7. splits_plus/molinst/eval/molecule_forward_reaction_prediction/test_tasks.txt +1 -0
  8. splits_plus/molinst/eval/molecule_forward_reaction_prediction/train_tasks.txt +1 -0
  9. splits_plus/molinst/eval/molecule_forward_reaction_prediction/validation_tasks.txt +1 -0
  10. splits_plus/molinst/eval/molecule_molecular_description_generation/test_tasks.txt +1 -0
  11. splits_plus/molinst/eval/molecule_molecular_description_generation/train_tasks.txt +1 -0
  12. splits_plus/molinst/eval/molecule_molecular_description_generation/validation_tasks.txt +1 -0
  13. splits_plus/molinst/eval/molecule_property_prediction/test_tasks.txt +1 -0
  14. splits_plus/molinst/eval/molecule_property_prediction/train_tasks.txt +1 -0
  15. splits_plus/molinst/eval/molecule_property_prediction/validation_tasks.txt +1 -0
  16. splits_plus/molinst/eval/molecule_reagent_prediction/test_tasks.txt +1 -0
  17. splits_plus/molinst/eval/molecule_reagent_prediction/train_tasks.txt +1 -0
  18. splits_plus/molinst/eval/molecule_reagent_prediction/validation_tasks.txt +1 -0
  19. splits_plus/molinst/eval/molecule_retrosynthesis/test_tasks.txt +1 -0
  20. splits_plus/molinst/eval/molecule_retrosynthesis/train_tasks.txt +1 -0
  21. splits_plus/molinst/eval/molecule_retrosynthesis/validation_tasks.txt +1 -0
  22. splits_plus/molinst/eval/protein_catalytic_activity/test_tasks.txt +1 -0
  23. splits_plus/molinst/eval/protein_catalytic_activity/train_tasks.txt +1 -0
  24. splits_plus/molinst/eval/protein_catalytic_activity/validation_tasks.txt +1 -0
  25. splits_plus/molinst/eval/protein_domain_motif/test_tasks.txt +1 -0
  26. splits_plus/molinst/eval/protein_domain_motif/train_tasks.txt +1 -0
  27. splits_plus/molinst/eval/protein_domain_motif/validation_tasks.txt +1 -0
  28. splits_plus/molinst/eval/protein_general_function/test_tasks.txt +1 -0
  29. splits_plus/molinst/eval/protein_general_function/train_tasks.txt +1 -0
  30. splits_plus/molinst/eval/protein_general_function/validation_tasks.txt +1 -0
  31. splits_plus/molinst/eval/protein_protein_design/test_tasks.txt +1 -0
  32. splits_plus/molinst/eval/protein_protein_design/train_tasks.txt +1 -0
  33. splits_plus/molinst/eval/protein_protein_design/validation_tasks.txt +1 -0
  34. splits_plus/molinst/eval/protein_protein_function/test_tasks.txt +1 -0
  35. splits_plus/molinst/eval/protein_protein_function/train_tasks.txt +1 -0
  36. splits_plus/molinst/eval/protein_protein_function/validation_tasks.txt +1 -0
  37. splits_plus/molinst/molecule/test_tasks.txt +6 -0
  38. splits_plus/molinst/molecule/train_tasks.txt +6 -0
  39. splits_plus/molinst/molecule/validation_tasks.txt +6 -0
  40. splits_plus/molinst/protein/test_tasks.txt +5 -0
  41. splits_plus/molinst/protein/train_tasks.txt +5 -0
  42. splits_plus/molinst/protein/validation_tasks.txt +5 -0
  43. splits_plus/pro_multi/test_tasks.txt +7 -0
  44. splits_plus/pro_multi/train_tasks.txt +7 -0
  45. splits_plus/pro_multi/validation_tasks.txt +7 -0
  46. tasks_plus/task169_yeast_ppi_peer_train.json +3 -0
  47. tasks_plus/task16_bindingdb_drugban_dti_train.json +3 -0
  48. tasks_plus/task170_yeast_ppi_peer_valid.json +3 -0
  49. tasks_plus/task171_yeast_ppi_peer_test.json +3 -0
  50. tasks_plus/task172_human_ppi_peer_train.json +3 -0
splits_plus/mol_multi/test_tasks.txt ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ task3_chebi20_text2mol_test
2
+ task6_chebi20_mol2text_test
3
+ task27_bbbp_molnet_test
4
+ task30_hiv_molnet_test
5
+ task33_bace_molnet_test
6
+ task72_clintox_fda_approved_molnet_test
7
+ task75_clintox_ct_tox_molnet_test
splits_plus/mol_multi/train_tasks.txt ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ task1_chebi20_text2mol_train
2
+ task4_chebi20_mol2text_train
3
+ task25_bbbp_molnet_train
4
+ task28_hiv_molnet_train
5
+ task31_bace_molnet_train
6
+ task70_clintox_fda_approved_molnet_train
7
+ task73_clintox_ct_tox_molnet_train
splits_plus/mol_multi/validation_tasks.txt ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ task2_chebi20_text2mol_validation
2
+ task5_chebi20_mol2text_validation
3
+ task26_bbbp_molnet_valid
4
+ task29_hiv_molnet_valid
5
+ task32_bace_molnet_valid
6
+ task71_clintox_fda_approved_molnet_valid
7
+ task74_clintox_ct_tox_molnet_valid
splits_plus/molinst/eval/molecule_description_guided_molecule_design/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task207_description_guided_molecule_design_molinst_mol_test
splits_plus/molinst/eval/molecule_description_guided_molecule_design/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task205_description_guided_molecule_design_molinst_mol_train
splits_plus/molinst/eval/molecule_description_guided_molecule_design/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task206_description_guided_molecule_design_molinst_mol_validation
splits_plus/molinst/eval/molecule_forward_reaction_prediction/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task216_forward_reaction_prediction_molinst_mol_test
splits_plus/molinst/eval/molecule_forward_reaction_prediction/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task214_forward_reaction_prediction_molinst_mol_train
splits_plus/molinst/eval/molecule_forward_reaction_prediction/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task215_forward_reaction_prediction_molinst_mol_validation
splits_plus/molinst/eval/molecule_molecular_description_generation/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task204_molecular_description_generation_molinst_mol_test
splits_plus/molinst/eval/molecule_molecular_description_generation/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task202_molecular_description_generation_molinst_mol_train
splits_plus/molinst/eval/molecule_molecular_description_generation/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task203_molecular_description_generation_molinst_mol_validation
splits_plus/molinst/eval/molecule_property_prediction/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task210_property_prediction_molinst_mol_test
splits_plus/molinst/eval/molecule_property_prediction/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task208_property_prediction_molinst_mol_train
splits_plus/molinst/eval/molecule_property_prediction/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task209_property_prediction_molinst_mol_validation
splits_plus/molinst/eval/molecule_reagent_prediction/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task213_reagent_prediction_molinst_mol_test
splits_plus/molinst/eval/molecule_reagent_prediction/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task211_reagent_prediction_molinst_mol_train
splits_plus/molinst/eval/molecule_reagent_prediction/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task212_reagent_prediction_molinst_mol_validation
splits_plus/molinst/eval/molecule_retrosynthesis/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task219_retrosynthesis_molinst_mol_test
splits_plus/molinst/eval/molecule_retrosynthesis/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task217_retrosynthesis_molinst_mol_train
splits_plus/molinst/eval/molecule_retrosynthesis/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task218_retrosynthesis_molinst_mol_validation
splits_plus/molinst/eval/protein_catalytic_activity/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task222_catalytic_activity_molinst_pro_test
splits_plus/molinst/eval/protein_catalytic_activity/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task220_catalytic_activity_molinst_pro_train
splits_plus/molinst/eval/protein_catalytic_activity/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task221_catalytic_activity_molinst_pro_validation
splits_plus/molinst/eval/protein_domain_motif/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task225_domain_motif_molinst_pro_test
splits_plus/molinst/eval/protein_domain_motif/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task223_domain_motif_molinst_pro_train
splits_plus/molinst/eval/protein_domain_motif/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task224_domain_motif_molinst_pro_validation
splits_plus/molinst/eval/protein_general_function/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task231_general_function_molinst_pro_test
splits_plus/molinst/eval/protein_general_function/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task229_general_function_molinst_pro_train
splits_plus/molinst/eval/protein_general_function/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task230_general_function_molinst_pro_validation
splits_plus/molinst/eval/protein_protein_design/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task234_protein_design_molinst_pro_test
splits_plus/molinst/eval/protein_protein_design/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task232_protein_design_molinst_pro_train
splits_plus/molinst/eval/protein_protein_design/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task233_protein_design_molinst_pro_validation
splits_plus/molinst/eval/protein_protein_function/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task228_protein_function_molinst_pro_test
splits_plus/molinst/eval/protein_protein_function/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task226_protein_function_molinst_pro_train
splits_plus/molinst/eval/protein_protein_function/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task227_protein_function_molinst_pro_validation
splits_plus/molinst/molecule/test_tasks.txt ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ task204_molecular_description_generation_molinst_mol_test
2
+ task207_description_guided_molecule_design_molinst_mol_test
3
+ task210_property_prediction_molinst_mol_test
4
+ task213_reagent_prediction_molinst_mol_test
5
+ task216_forward_reaction_prediction_molinst_mol_test
6
+ task219_retrosynthesis_molinst_mol_test
splits_plus/molinst/molecule/train_tasks.txt ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ task202_molecular_description_generation_molinst_mol_train
2
+ task205_description_guided_molecule_design_molinst_mol_train
3
+ task208_property_prediction_molinst_mol_train
4
+ task211_reagent_prediction_molinst_mol_train
5
+ task214_forward_reaction_prediction_molinst_mol_train
6
+ task217_retrosynthesis_molinst_mol_train
splits_plus/molinst/molecule/validation_tasks.txt ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ task203_molecular_description_generation_molinst_mol_validation
2
+ task206_description_guided_molecule_design_molinst_mol_validation
3
+ task209_property_prediction_molinst_mol_validation
4
+ task212_reagent_prediction_molinst_mol_validation
5
+ task215_forward_reaction_prediction_molinst_mol_validation
6
+ task218_retrosynthesis_molinst_mol_validation
splits_plus/molinst/protein/test_tasks.txt ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ task222_catalytic_activity_molinst_pro_test
2
+ task225_domain_motif_molinst_pro_test
3
+ task228_protein_function_molinst_pro_test
4
+ task231_general_function_molinst_pro_test
5
+ task234_protein_design_molinst_pro_test
splits_plus/molinst/protein/train_tasks.txt ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ task220_catalytic_activity_molinst_pro_train
2
+ task223_domain_motif_molinst_pro_train
3
+ task226_protein_function_molinst_pro_train
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+ task229_general_function_molinst_pro_train
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+ task232_protein_design_molinst_pro_train
splits_plus/molinst/protein/validation_tasks.txt ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ task221_catalytic_activity_molinst_pro_validation
2
+ task224_domain_motif_molinst_pro_validation
3
+ task227_protein_function_molinst_pro_validation
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+ task230_general_function_molinst_pro_validation
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+ task233_protein_design_molinst_pro_validation
splits_plus/pro_multi/test_tasks.txt ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ task18_bindingdb_drugban_dti_test
2
+ task21_biosnap_drugban_dti_test
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+ task24_human_drugban_dti_test
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+ task171_yeast_ppi_peer_test
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+ task174_human_ppi_peer_test
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+ task177_solubility_peer_test
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+ task180_binloc_peer_test
splits_plus/pro_multi/train_tasks.txt ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ task16_bindingdb_drugban_dti_train
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+ task19_biosnap_drugban_dti_train
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+ task22_human_drugban_dti_train
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+ task169_yeast_ppi_peer_train
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+ task172_human_ppi_peer_train
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+ task175_solubility_peer_train
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+ task178_binloc_peer_train
splits_plus/pro_multi/validation_tasks.txt ADDED
@@ -0,0 +1,7 @@
 
 
 
 
 
 
 
 
1
+ task17_bindingdb_drugban_dti_valid
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+ task20_biosnap_drugban_dti_valid
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+ task23_human_drugban_dti_valid
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+ task170_yeast_ppi_peer_valid
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+ task173_human_ppi_peer_valid
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+ task176_solubility_peer_valid
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+ task179_binloc_peer_valid
tasks_plus/task169_yeast_ppi_peer_train.json ADDED
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