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README.md
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OMatG is a generative model for crystal structure prediction and _de novo_ generation of inorganic crystals.
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This repository hosts our model checkpoints and benchmark datasets.
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## Models
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Each of our models have been trained with a variety of hyperparameters as, e.g., various positional stochastic interpolants for the fractional coordinates in the unit-cell representation.
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The tables below indicate the recommended checkpoints for each model, as well as the suggested use case.
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[**Try our models live at OMatGenerate**](https://omatgenerate.users.hsrn.nyu.edu/)
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### Crystal Structure Prediction (CSP)
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OMatG is a generative model for crystal structure prediction and _de novo_ generation of inorganic crystals.
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| 14 |
This repository hosts our model checkpoints and benchmark datasets.
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| 15 |
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## Models
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Each of our models have been trained with a variety of hyperparameters as, e.g., various positional stochastic interpolants for the fractional coordinates in the unit-cell representation.
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The tables below indicate the recommended checkpoints for each model, as well as the suggested use case.
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[**Try our models live at OMatGenerate.**](https://omatgenerate.users.hsrn.nyu.edu/)
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### Crystal Structure Prediction (CSP)
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