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# Description
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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 MPTS-52 (Materials Project Time Splits) dataset.
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This 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 MTPS-52-CSP models.
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# Recommendations
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The [Linear-ODE checkpoints](https://huggingface.co/OMatG/MPTS-52-CSP/tree/main/Linear-ODE)
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currently provide the best results with respect to
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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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# Description
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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 MPTS-52 (Materials Project Time Splits) 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 MTPS-52-CSP models.
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# Recommendations
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The [Linear-ODE checkpoints](https://huggingface.co/OMatG/MPTS-52-CSP/tree/main/Linear-ODE)
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currently provide the best results with respect to the match rate.
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The [VE-SBD checkpoints](https://huggingface.co/OMatG/MPTS-52-CSP/tree/main/VESBD-ODE) currently provide the best results with respect to average root-mean square distance between 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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