Electronic Structure · foundry-ml
foundry_oqmd_band_gaps_v1-1
A dataset of Open Quantum Materials Database band gaps for machine learning on inorganic crystal electronic structure.
What foundry_oqmd_band_gaps_v1-1 is
foundry_oqmd_band_gaps_v1-1 is an electronic structure dataset released by foundry-ml. It compiles band-gap values sourced from the Open Quantum Materials Database (OQMD) for use across materials science, physics, and chemistry.
The dataset addresses the need for standardised electronic structure data in computational research. By providing reference band-gap properties for inorganic crystals, it offers a benchmark target for researchers developing and testing predictive machine learning models.
How it was made
The dataset extracts band-gap measurements from the Open Quantum Materials Database (OQMD) and organises them specifically for machine learning benchmarking. The records map inorganic crystal entries to their respective electronic band-gap values.
Key facts
- Publisher
- foundry-ml
- Category
- Electronic Structure
- Source
- Open Quantum Materials Database (OQMD)
- Target property
- Band gap
- Scientific fields
- Materials science, physics, chemistry
What you can use it for
- Machine learning benchmarking
- Comparing the performance and accuracy of machine learning models trained to predict band-gap properties of inorganic crystals.
- Electronic structure regression
- Training statistical and deep learning models to predict fundamental electronic structure properties directly from crystalline representations.
- Inorganic crystal property screening
- Using reference band-gap values to screen or validate computational predictions for inorganic solid-state materials.
Explore the data
No licence declared
The authors have not published a licence, which means no permission to redistribute the data has been granted to anyone. The rows are not served here; read them on the original dataset page.Strengths and limits
Good at
- Supplies curated band-gap data sourced directly from the Open Quantum Materials Database.
- Structured specifically for benchmarking machine learning models on inorganic crystal electronic structures.
Watch out for
- Focuses strictly on band-gap values and does not provide broader electronic or mechanical properties.
- Contains data restricted to inorganic crystals, excluding other classes of matter such as molecular systems.
Questions
Can I look inside foundry_oqmd_band_gaps_v1-1 without downloading it?
Not here: it declares no licence, so no permission to redistribute its rows has been granted. Its description and statistics are still shown.
What licence is foundry_oqmd_band_gaps_v1-1 under?
Its authors have not declared a licence, which means no permission to reuse or redistribute it has been granted.
What information does this dataset provide?
It provides electronic band-gap values for inorganic crystals derived from the Open Quantum Materials Database.
Which research areas is this dataset designed for?
It is intended for researchers working in materials science, condensed matter physics, and chemistry who evaluate electronic structures.
What is the primary role of the dataset in computational workflows?
It is prepared to serve as a benchmark dataset for training and testing machine learning models predicting electronic structure properties.
Written from foundry_oqmd_band_gaps_v1-1's own dataset card. Statements citing a figure that does not appear there are removed before publication. Licence and running details come from our registry.