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README.md
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- Active learning for efficient data acquisition
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- Out-of-distribution detection in materials discovery
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##
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### Training Data
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The model is trained on the **Materials Project Trajectory (MPtrj)** dataset, which includes DFT-calculated energies, forces, and stresses from relaxation trajectories across diverse inorganic materials.
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### Architecture
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- **Model type**: RACE
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- **Equivariance**: E(3) equivariant via e3nn
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- Active learning for efficient data acquisition
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- Out-of-distribution detection in materials discovery
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## Architecture
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- **Model type**: RACE
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- **Equivariance**: E(3) equivariant via e3nn
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