---
dataset_info:
  features:
  - name: id
    dtype: int64
  - name: molecules
    struct:
    - name: selfies
      sequence: string
    - name: smiles
      sequence: string
  - name: messages
    list:
    - name: content
      dtype: string
    - name: role
      dtype: string
  - name: ground_truth
    dtype: string
  splits:
  - name: train
    num_bytes: 72083085
    num_examples: 70988
  - name: dev
    num_bytes: 7822847
    num_examples: 7694
  - name: test
    num_bytes: 7964807
    num_examples: 7793
  download_size: 13186858
  dataset_size: 87870739
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
  - split: dev
    path: data/dev-*
  - split: test
    path: data/test-*
---

Reaction Condition Prediction Dataset (Solvent Prediction)
- molecule representation format: 1D SMILES
  - will further encode into 2D graph features
 
For Detail, refer to *PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes*: https://arxiv.org/pdf/2406.13193