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  1. .gitattributes +1 -0
  2. .gitignore +2 -0
  3. splits/dti/dti_bindingdb/test_tasks.txt +1 -0
  4. splits/dti/dti_bindingdb/train_tasks.txt +1 -0
  5. splits/dti/dti_bindingdb/validation_tasks.txt +1 -0
  6. splits/dti/dti_biosnap/test_tasks.txt +1 -0
  7. splits/dti/dti_biosnap/train_tasks.txt +1 -0
  8. splits/dti/dti_biosnap/validation_tasks.txt +1 -0
  9. splits/dti/dti_human/test_tasks.txt +1 -0
  10. splits/dti/dti_human/train_tasks.txt +1 -0
  11. splits/dti/dti_human/validation_tasks.txt +1 -0
  12. splits/mol_text/mol2text/test_tasks.txt +1 -0
  13. splits/mol_text/mol2text/train_tasks.txt +1 -0
  14. splits/mol_text/mol2text/validation_tasks.txt +1 -0
  15. splits/mol_text/text2mol/test_tasks.txt +1 -0
  16. splits/mol_text/text2mol/train_tasks.txt +1 -0
  17. splits/mol_text/text2mol/validation_tasks.txt +1 -0
  18. splits/molnet/bace/test_tasks.txt +1 -0
  19. splits/molnet/bace/train_tasks.txt +1 -0
  20. splits/molnet/bace/validation_tasks.txt +1 -0
  21. splits/molnet/bbbp/test_tasks.txt +1 -0
  22. splits/molnet/bbbp/train_tasks.txt +1 -0
  23. splits/molnet/bbbp/validation_tasks.txt +1 -0
  24. splits/molnet/clintox_ct_tox/test_tasks.txt +1 -0
  25. splits/molnet/clintox_ct_tox/train_tasks.txt +1 -0
  26. splits/molnet/clintox_ct_tox/validation_tasks.txt +1 -0
  27. splits/molnet/clintox_fda_approved/test_tasks.txt +1 -0
  28. splits/molnet/clintox_fda_approved/train_tasks.txt +1 -0
  29. splits/molnet/clintox_fda_approved/validation_tasks.txt +1 -0
  30. splits/molnet/hiv/test_tasks.txt +1 -0
  31. splits/molnet/hiv/train_tasks.txt +1 -0
  32. splits/molnet/hiv/validation_tasks.txt +1 -0
  33. splits/molnet/sider_blood_and_lymphatic_system_disorders/test_tasks.txt +1 -0
  34. splits/molnet/sider_blood_and_lymphatic_system_disorders/train_tasks.txt +1 -0
  35. splits/molnet/sider_blood_and_lymphatic_system_disorders/validation_tasks.txt +1 -0
  36. splits/molnet/sider_cardiac_disorders/test_tasks.txt +1 -0
  37. splits/molnet/sider_cardiac_disorders/train_tasks.txt +1 -0
  38. splits/molnet/sider_cardiac_disorders/validation_tasks.txt +1 -0
  39. splits/molnet/sider_congenital__familial_and_genetic_disorders/test_tasks.txt +1 -0
  40. splits/molnet/sider_congenital__familial_and_genetic_disorders/train_tasks.txt +1 -0
  41. splits/molnet/sider_congenital__familial_and_genetic_disorders/validation_tasks.txt +1 -0
  42. splits/molnet/sider_ear_and_labyrinth_disorders/test_tasks.txt +1 -0
  43. splits/molnet/sider_ear_and_labyrinth_disorders/train_tasks.txt +1 -0
  44. splits/molnet/sider_ear_and_labyrinth_disorders/validation_tasks.txt +1 -0
  45. splits/molnet/sider_endocrine_disorders/test_tasks.txt +1 -0
  46. splits/molnet/sider_endocrine_disorders/train_tasks.txt +1 -0
  47. splits/molnet/sider_endocrine_disorders/validation_tasks.txt +1 -0
  48. splits/molnet/sider_eye_disorders/test_tasks.txt +1 -0
  49. splits/molnet/sider_eye_disorders/train_tasks.txt +1 -0
  50. splits/molnet/sider_eye_disorders/validation_tasks.txt +1 -0
.gitattributes CHANGED
@@ -53,3 +53,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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  *.jpg filter=lfs diff=lfs merge=lfs -text
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  *.jpeg filter=lfs diff=lfs merge=lfs -text
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  *.webp filter=lfs diff=lfs merge=lfs -text
 
 
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  *.jpg filter=lfs diff=lfs merge=lfs -text
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  *.jpeg filter=lfs diff=lfs merge=lfs -text
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  *.webp filter=lfs diff=lfs merge=lfs -text
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+ *.json filter=lfs diff=lfs merge=lfs -text
.gitignore ADDED
@@ -0,0 +1,2 @@
 
 
 
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+ delete_tasks.sh
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+ renumber_tasks.py
splits/dti/dti_bindingdb/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task18_bindingdb_drugban_dti_test
splits/dti/dti_bindingdb/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task16_bindingdb_drugban_dti_train
splits/dti/dti_bindingdb/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task17_bindingdb_drugban_dti_valid
splits/dti/dti_biosnap/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task21_biosnap_drugban_dti_test
splits/dti/dti_biosnap/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task19_biosnap_drugban_dti_train
splits/dti/dti_biosnap/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task20_biosnap_drugban_dti_valid
splits/dti/dti_human/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task24_human_drugban_dti_test
splits/dti/dti_human/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task22_human_drugban_dti_train
splits/dti/dti_human/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task23_human_drugban_dti_valid
splits/mol_text/mol2text/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task6_chebi20_mol2text_test
splits/mol_text/mol2text/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task4_chebi20_mol2text_train
splits/mol_text/mol2text/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task5_chebi20_mol2text_validation
splits/mol_text/text2mol/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task3_chebi20_text2mol_test
splits/mol_text/text2mol/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task1_chebi20_text2mol_train
splits/mol_text/text2mol/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task2_chebi20_text2mol_validation
splits/molnet/bace/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task33_bace_molnet_test
splits/molnet/bace/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task31_bace_molnet_train
splits/molnet/bace/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task32_bace_molnet_valid
splits/molnet/bbbp/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task27_bbbp_molnet_test
splits/molnet/bbbp/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task25_bbbp_molnet_train
splits/molnet/bbbp/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task26_bbbp_molnet_valid
splits/molnet/clintox_ct_tox/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task75_clintox_ct_tox_molnet_test
splits/molnet/clintox_ct_tox/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task73_clintox_ct_tox_molnet_train
splits/molnet/clintox_ct_tox/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task74_clintox_ct_tox_molnet_valid
splits/molnet/clintox_fda_approved/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task72_clintox_fda_approved_molnet_test
splits/molnet/clintox_fda_approved/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task70_clintox_fda_approved_molnet_train
splits/molnet/clintox_fda_approved/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task71_clintox_fda_approved_molnet_valid
splits/molnet/hiv/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task30_hiv_molnet_test
splits/molnet/hiv/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task28_hiv_molnet_train
splits/molnet/hiv/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task29_hiv_molnet_valid
splits/molnet/sider_blood_and_lymphatic_system_disorders/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task123_sider_blood_and_lymphatic_system_disorders_molnet_test
splits/molnet/sider_blood_and_lymphatic_system_disorders/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task121_sider_blood_and_lymphatic_system_disorders_molnet_train
splits/molnet/sider_blood_and_lymphatic_system_disorders/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task122_sider_blood_and_lymphatic_system_disorders_molnet_valid
splits/molnet/sider_cardiac_disorders/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task150_sider_cardiac_disorders_molnet_test
splits/molnet/sider_cardiac_disorders/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task148_sider_cardiac_disorders_molnet_train
splits/molnet/sider_cardiac_disorders/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task149_sider_cardiac_disorders_molnet_valid
splits/molnet/sider_congenital__familial_and_genetic_disorders/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task129_sider_congenital__familial_and_genetic_disorders_molnet_test
splits/molnet/sider_congenital__familial_and_genetic_disorders/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task127_sider_congenital__familial_and_genetic_disorders_molnet_train
splits/molnet/sider_congenital__familial_and_genetic_disorders/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task128_sider_congenital__familial_and_genetic_disorders_molnet_valid
splits/molnet/sider_ear_and_labyrinth_disorders/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
1
+ task147_sider_ear_and_labyrinth_disorders_molnet_test
splits/molnet/sider_ear_and_labyrinth_disorders/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task145_sider_ear_and_labyrinth_disorders_molnet_train
splits/molnet/sider_ear_and_labyrinth_disorders/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task146_sider_ear_and_labyrinth_disorders_molnet_valid
splits/molnet/sider_endocrine_disorders/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task114_sider_endocrine_disorders_molnet_test
splits/molnet/sider_endocrine_disorders/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task112_sider_endocrine_disorders_molnet_train
splits/molnet/sider_endocrine_disorders/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task113_sider_endocrine_disorders_molnet_valid
splits/molnet/sider_eye_disorders/test_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task87_sider_eye_disorders_molnet_test
splits/molnet/sider_eye_disorders/train_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task85_sider_eye_disorders_molnet_train
splits/molnet/sider_eye_disorders/validation_tasks.txt ADDED
@@ -0,0 +1 @@
 
 
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+ task86_sider_eye_disorders_molnet_valid