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- ---
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- license: mit
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- tags:
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- - chemistry
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- ---
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  Here is the dataset used in paper `Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing` [[link](URL地址)].
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  The data is stored in lmdb formate. Taking `md_traj` data as an example, you can load the data as following:
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  'mol_b', # The pubchem id of the molecule B
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  'distance', # The horizontal distance between the right-most atom of A and the left-most atom of B, unit in Angstrom
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  ...]
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- ```
 
 
 
 
 
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+ ---
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+ license: mit
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+ tags:
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+ - chemistry
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+ ---
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  Here is the dataset used in paper `Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing` [[link](URL地址)].
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  The data is stored in lmdb formate. Taking `md_traj` data as an example, you can load the data as following:
 
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  'mol_b', # The pubchem id of the molecule B
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  'distance', # The horizontal distance between the right-most atom of A and the left-most atom of B, unit in Angstrom
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  ...]
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+ ```
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+
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+ More details can be found in the original paper.
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+
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+ Code Link: [IQuestLab/E2Former](https://github.com/IQuestLab/E2Former).