---
license: mit
tags:
- chemistry
- molecular-editing
- reasoning
configs:
- config_name: mol_edit
  data_files:
  - split: train
    path: mol_edit/train.parquet
  - split: test
    path: mol_edit/test.parquet
- config_name: mol_opt
  data_files:
  - split: train
    path: mol_opt/train.parquet
  - split: test
    path: mol_opt/test.parquet
- config_name: mol_und
  data_files:
  - split: train
    path: mol_und/train.parquet
  - split: test
    path: mol_und/test.parquet
- config_name: reaction
  data_files:
  - split: train
    path: reaction/train.parquet
  - split: test
    path: reaction/test.parquet
- config_name: all
  data_files:
  - split: train
    path:
    - mol_edit/train.parquet
    - mol_opt/train.parquet
    - mol_und/train.parquet
    - reaction/train.parquet
  - split: test
    path:
    - mol_edit/test.parquet
    - mol_opt/test.parquet
    - mol_und/test.parquet
    - reaction/test.parquet
---

# ChemCoTBench, hub-native

The deduplicated `mtybilly/ChemCoTBench` mirror (`7b17148acba5e5aee716de1fe3d0db1a0bdf48e5`), with the unified columns `ground_truth`, `response` and `scoring_context` added beside every original one. Six subtasks' train `query` is rendered in the full shape of that subtask's benchmark test prompts (`add`, `delete`, `sub`, `equivalence`, `fs`, `rcr`); every other subtask's train `query` keeps its own corpus wording with the benchmark's reply-format block appended. `fs`'s train `ground_truth` is the reaction's main product (from `meta.rxn_smiles`), not upstream `gt` (the byproduct, kept as the original column it is), because that subtask's train rows are now rendered in the main-product shape its test prompts ask for. See `scripts/datasets/README.md` in the AutoDataSci repository for what those columns mean.

Row counts: test 1495, train 27494.

```json
{
  "mol_edit": {
    "train": 4497,
    "test": 100
  },
  "mol_opt": {
    "train": 5025,
    "test": 600
  },
  "mol_und": {
    "train": 7690,
    "test": 320
  },
  "reaction": {
    "train": 10282,
    "test": 475
  }
}
```