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- ---
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- license: mit
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- ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ ---
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+ license: mit
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+ name: MP-20-CSP
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+ tags:
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+ - MP-20
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+ - crystal-generation
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+ - materials-design
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+ - materials-discovery
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+ - structure-prediction
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+
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+ ---
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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 MP-20 dataset.
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+
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+ The MP-20 dataset consists of structures from the Materials Project database containing 20 or fewer atoms.
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+ This dataset is also included in OMatG.
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+
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+ The subdirectories in this repository contain various model hyperparameters and training checkpoints for a
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+ variety of MP-20-CSP models.
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+
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+ # Uses
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+ The checkpoints and model hyperparameters can be used for prediction of crystalline structures with
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+ OMatG,
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+ as described in the [README.md file of OMatG](https://github.com/FERMat-ML/OMatG/blob/main/README.md)
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+
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+ # Recommendations
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+ The [Linear-SDE-Gamma checkpoints](https://huggingface.co/OMatG/MP-20-CSP/tree/main/Linear-SDE-Gamma)
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+ currently provide the best results with
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+ respect to structure stability, novelty, and uniqueness.
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+
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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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+
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+ # Links
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+ [OMatG on GitHub](https://github.com/FERMat-ML/OMatG): See this repository for OMatG installation, training and usage instructions.
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+ [KIM Initiative](https://kim-initiative.org/): Knowledgebase of Interatomic Models. Tools and resources for researchers in materials science and chemistry.
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+ [Fermat-ML on GitHub](https://github.com/FERMat-ML): Foundational Representation of Materials. Machine learning foundation model for materials and chemistry discovery.
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+
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+
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+