Datasets:
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This repository contains the dataset used in the paper: **"Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing"** [[link](https://
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### Dataset Components
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The dataset consists of three primary compressed archives, each catering to different aspects of macromolecular force field modeling:
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* `mol_b`: The PubChem ID of molecule B.
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* `distance`: The horizontal distance between the right-most atom of A and the left-most atom of B, in units of Angstrom.
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For further details, please refer to the [original paper](https://
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[1]: Lindorff-Larsen, et al. "How fast-folding proteins fold." Science 334.6055 (2011): 517-520.
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This repository contains the dataset used in the paper: **"Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing"** [[link](https://arxiv.org/abs/2601.03774)].
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### Dataset Components
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The dataset consists of three primary compressed archives, each catering to different aspects of macromolecular force field modeling:
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* `mol_b`: The PubChem ID of molecule B.
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* `distance`: The horizontal distance between the right-most atom of A and the left-most atom of B, in units of Angstrom.
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For further details, please refer to the [original paper](https://arxiv.org/abs/2601.03774) and the official repository: [IQuestLab/UBio-MolFM](https://github.com/IQuestLab/UBio-MolFM).
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[1]: Lindorff-Larsen, et al. "How fast-folding proteins fold." Science 334.6055 (2011): 517-520.
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