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@@ -9,6 +9,8 @@ A novel variational approach to transition path sampling (TPS) based on the Doob
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</p>
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<palign="center">
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<imgsrc="visualizations/aldp.gif"alt="Visualization of alanine dipeptide transitioning between two meta-stable states"/>
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<i>In this animation, you can see one transition path of alanine dipeptide transitioning between two meta-stable states. The path is sampled using our method.</i>
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</p>
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## Setup
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for ALDP respectively.
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**Note:** In both cases, you might need to change the paths that you want to evaluate in ``evaluate_mueller.py` or `evaluate_tps.py`.
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**Note:** In both cases, you might need to change the paths that you want to evaluate in `evaluate_mueller.py` or `evaluate_tps.py`.
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## Run our method
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To sample trajectories with our method, we provide ready to go config files in `configs/`. You can run them with
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