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README.md
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@@ -7,5 +7,8 @@ The model checkpoints for our paper [Predicting equilibrium distributions for mo
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Advanced pre-trained versions of Graphormer are available exclusively on [Azure Quantum Elements](https://quantum.microsoft.com/en-us/our-story/quantum-elements-overview).
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# Data Summary
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https://huggingface.co/microsoft/graphormer/blob/main/data_summary_card.md
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Advanced pre-trained versions of Graphormer are available exclusively on [Azure Quantum Elements](https://quantum.microsoft.com/en-us/our-story/quantum-elements-overview).
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Model checkpoints for redox potential prediction as produced in [Mixed Computational/Experimental Screening for Aqueous Organic Redox Flow Battery Negolytes](https://doi.org/10.1021/acselectrochem.6c00233) and further utilized in [Closed-Loop Molecular Design with Calibrated Deference
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](https://arxiv.org/abs/2606.02618) are available under directory [orfb-design](https://huggingface.co/microsoft/Graphormer/tree/main/orfb-design).
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# Data Summary
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https://huggingface.co/microsoft/graphormer/blob/main/data_summary_card.md
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