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Datasets:
eamag
/
Chem-prop-pred

Tasks:
Graph Machine Learning
Modalities:
Tabular
Text
Formats:
parquet
Size:
10K - 100K
Tags:
chemistry
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files
xet
 Community
1
Chem-prop-pred
File size: 677 Bytes
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---
dataset_info:
  features:
  - name: smiles
    dtype: large_string
  - name: temperature
    dtype: float64
  - name: log_mw
    dtype: float64
  - name: molality
    dtype: float64
  - name: conductivity
    dtype: float64
  splits:
  - name: train
    num_bytes: 1428599
    num_examples: 10114
  - name: screen
    num_bytes: 4935911
    num_examples: 32760
  download_size: 228320
  dataset_size: 6364510
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
  - split: screen
    path: data/screen-*
license: mit
task_categories:
- graph-ml
tags:
- chemistry
---

processed data from https://github.com/learningmatter-mit/Chem-prop-pred