| --- |
| license: cc-by-4.0 |
| tags: |
| - chemistry |
| - instruction-tuning |
| configs: |
| - config_name: forward_synthesis |
| data_files: |
| - split: train |
| path: forward_synthesis/train.parquet |
| - split: test |
| path: forward_synthesis/test.parquet |
| - split: test_full |
| path: forward_synthesis/test_full.parquet |
| - config_name: retrosynthesis |
| data_files: |
| - split: train |
| path: retrosynthesis/train.parquet |
| - split: test |
| path: retrosynthesis/test.parquet |
| - split: test_full |
| path: retrosynthesis/test_full.parquet |
| - config_name: molecule_captioning |
| data_files: |
| - split: train |
| path: molecule_captioning/train.parquet |
| - split: test |
| path: molecule_captioning/test.parquet |
| - split: test_full |
| path: molecule_captioning/test_full.parquet |
| - config_name: molecule_generation |
| data_files: |
| - split: train |
| path: molecule_generation/train.parquet |
| - split: test |
| path: molecule_generation/test.parquet |
| - split: test_full |
| path: molecule_generation/test_full.parquet |
| - config_name: name_conversion-i2f |
| data_files: |
| - split: train |
| path: name_conversion-i2f/train.parquet |
| - split: test |
| path: name_conversion-i2f/test.parquet |
| - split: test_full |
| path: name_conversion-i2f/test_full.parquet |
| - config_name: name_conversion-i2s |
| data_files: |
| - split: train |
| path: name_conversion-i2s/train.parquet |
| - split: test |
| path: name_conversion-i2s/test.parquet |
| - split: test_full |
| path: name_conversion-i2s/test_full.parquet |
| - config_name: name_conversion-s2f |
| data_files: |
| - split: train |
| path: name_conversion-s2f/train.parquet |
| - split: test |
| path: name_conversion-s2f/test.parquet |
| - split: test_full |
| path: name_conversion-s2f/test_full.parquet |
| - config_name: name_conversion-s2i |
| data_files: |
| - split: train |
| path: name_conversion-s2i/train.parquet |
| - split: test |
| path: name_conversion-s2i/test.parquet |
| - split: test_full |
| path: name_conversion-s2i/test_full.parquet |
| - config_name: property_prediction-esol |
| data_files: |
| - split: train |
| path: property_prediction-esol/train.parquet |
| - split: test |
| path: property_prediction-esol/test.parquet |
| - split: test_full |
| path: property_prediction-esol/test_full.parquet |
| - config_name: property_prediction-lipo |
| data_files: |
| - split: train |
| path: property_prediction-lipo/train.parquet |
| - split: test |
| path: property_prediction-lipo/test.parquet |
| - split: test_full |
| path: property_prediction-lipo/test_full.parquet |
| - config_name: property_prediction-bbbp |
| data_files: |
| - split: train |
| path: property_prediction-bbbp/train.parquet |
| - split: test |
| path: property_prediction-bbbp/test.parquet |
| - split: test_full |
| path: property_prediction-bbbp/test_full.parquet |
| - config_name: property_prediction-clintox |
| data_files: |
| - split: train |
| path: property_prediction-clintox/train.parquet |
| - split: test |
| path: property_prediction-clintox/test.parquet |
| - split: test_full |
| path: property_prediction-clintox/test_full.parquet |
| - config_name: property_prediction-hiv |
| data_files: |
| - split: train |
| path: property_prediction-hiv/train.parquet |
| - split: test |
| path: property_prediction-hiv/test.parquet |
| - split: test_full |
| path: property_prediction-hiv/test_full.parquet |
| - config_name: property_prediction-sider |
| data_files: |
| - split: train |
| path: property_prediction-sider/train.parquet |
| - split: test |
| path: property_prediction-sider/test.parquet |
| - split: test_full |
| path: property_prediction-sider/test_full.parquet |
| - config_name: all |
| data_files: |
| - split: train |
| path: |
| - forward_synthesis/train.parquet |
| - retrosynthesis/train.parquet |
| - molecule_captioning/train.parquet |
| - molecule_generation/train.parquet |
| - name_conversion-i2f/train.parquet |
| - name_conversion-i2s/train.parquet |
| - name_conversion-s2f/train.parquet |
| - name_conversion-s2i/train.parquet |
| - property_prediction-esol/train.parquet |
| - property_prediction-lipo/train.parquet |
| - property_prediction-bbbp/train.parquet |
| - property_prediction-clintox/train.parquet |
| - property_prediction-hiv/train.parquet |
| - property_prediction-sider/train.parquet |
| - split: test |
| path: |
| - forward_synthesis/test.parquet |
| - retrosynthesis/test.parquet |
| - molecule_captioning/test.parquet |
| - molecule_generation/test.parquet |
| - name_conversion-i2f/test.parquet |
| - name_conversion-i2s/test.parquet |
| - name_conversion-s2f/test.parquet |
| - name_conversion-s2i/test.parquet |
| - property_prediction-esol/test.parquet |
| - property_prediction-lipo/test.parquet |
| - property_prediction-bbbp/test.parquet |
| - property_prediction-clintox/test.parquet |
| - property_prediction-hiv/test.parquet |
| - property_prediction-sider/test.parquet |
| - split: test_full |
| path: |
| - forward_synthesis/test_full.parquet |
| - retrosynthesis/test_full.parquet |
| - molecule_captioning/test_full.parquet |
| - molecule_generation/test_full.parquet |
| - name_conversion-i2f/test_full.parquet |
| - name_conversion-i2s/test_full.parquet |
| - name_conversion-s2f/test_full.parquet |
| - name_conversion-s2i/test_full.parquet |
| - property_prediction-esol/test_full.parquet |
| - property_prediction-lipo/test_full.parquet |
| - property_prediction-bbbp/test_full.parquet |
| - property_prediction-clintox/test_full.parquet |
| - property_prediction-hiv/test_full.parquet |
| - property_prediction-sider/test_full.parquet |
| --- |
| |
| # SMolInstruct, hub-native |
|
|
| `osunlp/SMolInstruct` (`b3e028007c6abc043f62ed0aef4824dc9e86bacc`), the official instruction view (`insert_core_tags=True`) of all 14 tasks, one subset per task, with the unified columns `id`, `query`, `ground_truth`, `response`, `task`, `subtask` and `scoring_context` added beside every original one. `query` is `input` plus one fixed sentence per task naming its reply tag. `test` is the official 200-per-task subset; `test_full` is the whole test split. See `src/scripts/datasets/README.md` in the AutoDataSci repository for what those columns mean. |
|
|
| Row counts: {"train": 3288855, "test": 2653, "test_full": 33061}. |
| |
| ```json |
| { |
| "forward_synthesis": { |
| "train": 971809, |
| "test": 200, |
| "test_full": 4062 |
| }, |
| "retrosynthesis": { |
| "train": 941735, |
| "test": 200, |
| "test_full": 4156 |
| }, |
| "molecule_captioning": { |
| "train": 56498, |
| "test": 200, |
| "test_full": 2538 |
| }, |
| "molecule_generation": { |
| "train": 56498, |
| "test": 200, |
| "test_full": 2493 |
| }, |
| "name_conversion-i2f": { |
| "train": 300000, |
| "test": 200, |
| "test_full": 2993 |
| }, |
| "name_conversion-i2s": { |
| "train": 299890, |
| "test": 200, |
| "test_full": 2993 |
| }, |
| "name_conversion-s2f": { |
| "train": 299890, |
| "test": 200, |
| "test_full": 2993 |
| }, |
| "name_conversion-s2i": { |
| "train": 299890, |
| "test": 200, |
| "test_full": 2993 |
| }, |
| "property_prediction-esol": { |
| "train": 888, |
| "test": 112, |
| "test_full": 112 |
| }, |
| "property_prediction-lipo": { |
| "train": 3360, |
| "test": 200, |
| "test_full": 420 |
| }, |
| "property_prediction-bbbp": { |
| "train": 1569, |
| "test": 197, |
| "test_full": 197 |
| }, |
| "property_prediction-clintox": { |
| "train": 1144, |
| "test": 144, |
| "test_full": 144 |
| }, |
| "property_prediction-hiv": { |
| "train": 32864, |
| "test": 200, |
| "test_full": 4107 |
| }, |
| "property_prediction-sider": { |
| "train": 22820, |
| "test": 200, |
| "test_full": 2860 |
| } |
| } |
| ``` |
| |
