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Add MSMBuilder example dataset loaders
These have been useful for me personally— maybe for others as well?
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osprey/dataset_loaders.py

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@@ -279,3 +279,39 @@ def load(self):
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y = bunch[self.y_name]
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return X, y
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class FsPeptideDatasetLoader(BaseDatasetLoader):
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short_name = 'fspeptide'
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def __init__(self):
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pass
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def load(self):
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from msmbuilder.example_datasets import FsPeptide
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trajectories = FsPeptide(verbose=False).get().trajectories
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return trajectories, None
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class AlanineDipeptideDatasetLoader(BaseDatasetLoader):
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short_name = 'alaninedipeptide'
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def __init__(self):
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pass
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def load(self):
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from msmbuilder.example_datasets import AlanineDipeptide
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trajectories = AlanineDipeptide(verbose=False).get().trajectories
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return trajectories, None
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class MullPotentialDatasetLoader(BaseDatasetLoader):
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short_name = 'muller'
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def __init__(self, random_state=None):
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self.random_state = np.random.RandomState(random_state)
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def load(self):
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from msmbuilder.example_datasets import MullerPotential

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