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This is an [OMatG (Open Materials Generation)](https://github.com/FERMat-ML/OMatG) model for crystal structure prediction
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(CSP) of inorganic crystals trained on the Perov-5 dataset.
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The perov-5 dataset is also included in OMatG.
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The subdirectories in this repository contain various model hyperparameters and training checkpoints for a
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variety of perov-5-CSP models.
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# Recommendations
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The [VPSBD-ODE checkpoints](https://huggingface.co/OMatG/perov-5-CSP/tree/main/VPSBD-ODE)
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currently provide the best results with respect to the match rate.
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# Citation
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Please cite [our paper on OpenReview](https://openreview.net/forum?id=gHGrzxFujU) if using OMatG.
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This is an [OMatG (Open Materials Generation)](https://github.com/FERMat-ML/OMatG) model for crystal structure prediction
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(CSP) of inorganic crystals trained on the Perov-5 dataset.
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The subdirectories in this repository contain various model hyperparameters and training checkpoints for a
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variety of perov-5-CSP models.
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# Recommendations
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The [VPSBD-ODE checkpoints](https://huggingface.co/OMatG/perov-5-CSP/tree/main/VPSBD-ODE)
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currently provide the best results with respect to the match rate.
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The [Linear-ODE checkpoints](https://huggingface.co/OMatG/perov-5-CSP/tree/main/Linear-ODE)
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currently provide the best results with respect to average root-mean square distance between
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generated and matched reference structures.
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# Citation
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Please cite [our paper on OpenReview](https://openreview.net/forum?id=gHGrzxFujU) if using OMatG.
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