Add Hugging Face Spaces YAML config to README
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README.md
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# AmberFlow
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**AmberFlow** is a web-based pipeline for preparing structures, setting up molecular dynamics (MD) simulations with the AMBER force field. It integrates structure completion (ESMFold), preparation, force field parameterization, simulation file generation, and PLUMED-based biased MD in a single interface.
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---
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title: AmberFlow
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emoji: 🧬
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colorFrom: blue
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colorTo: indigo
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sdk: docker
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app_port: 7860
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pinned: false
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---
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# AmberFlow
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**AmberFlow** is a web-based pipeline for preparing structures, setting up molecular dynamics (MD) simulations with the AMBER force field. It integrates structure completion (ESMFold), preparation, force field parameterization, simulation file generation, and PLUMED-based biased MD in a single interface.
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