Adsorption Energies of Carbon Species on Copper Catalysts with ML Model

45 sets of training data and five validation sets for predicting adsorption energies of carbon species on copper catalysts. The dataset includes a Jupyter notebook containing the machine learning model. Authored by Yuhui BAI and last updated in April 2026.

Use Cases

• Training machine learning models for adsorption energy prediction based on the provided training and validation sets.
• Benchmarking new predictive algorithms against the included ML model.
• Studying catalyst performance for carbon-based chemical reactions based on the adsorption energy data.

Strengths

• Includes a ready-to-use machine learning model in a Jupyter notebook file.
• Clearly separates 45 training data points from 5 validation data points.
• Released under a permissive CC-BY-4.0 license.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small at 548.1 KB, indicating a limited scope.

Provenance

Source

figshare

Collection Method

Likely contains computational or experimental results for adsorption energies.

Time Range

null

Freshness

Last updated 2026-04-22 05:34:38; freshness should be verified.

Geography

null