jla-gardner/carbon-data
A 22.9 million carbon atom dataset
This project provides a large dataset of carbon atom structures, capturing various forms like nanotubes and diamond, simulated across different densities and temperatures. It offers detailed information for each carbon atom, including local energy and forces, alongside structural details like density and temperature. This resource is designed for materials scientists, computational chemists, and researchers working with atomic simulations who need extensive data for training machine learning models or analyzing carbon material properties.
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Use this if you need a comprehensive, pre-computed dataset of carbon atom configurations and their energies for developing or validating atomistic machine learning models.
Not ideal if you need experimental data or want to simulate materials other than pure carbon, or require a dataset focused on specific defects or interfaces not represented here.
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15
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Language
Python
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Last pushed
Mar 07, 2023
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Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/jla-gardner/carbon-data"
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