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Update examples/neighbors/sparse-kde.py
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Co-authored-by: Alexander Goscinski <[email protected]>
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GardevoirX and agoscinski authored Jun 27, 2024
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Showing 1 changed file with 3 additions and 5 deletions.
8 changes: 3 additions & 5 deletions examples/neighbors/sparse-kde.py
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Expand Up @@ -204,11 +204,9 @@ def rij(period: np.ndarray, xi: np.ndarray, xj: np.ndarray) -> np.ndarray:

# %%
# We can see that the fitted model can perfectly capture the original one. Eventhough we
# have not specified the number of the gaussians, it can still perform well. This
# ability enables us to analyze the distribution of the data objectively, which is
# important and also hard to do in analyzing the molecular simulation data. Also, we
# see that our method is slightly better than the one from scikit-learn, but within a
# much shorter time.
# have not specified the number of the Gaussians, it can still perform well. This
# allows us to fit distributions of the data automatically at a comparable quality
# within a much shorter time than scikit-matter

# %%
# Probabilistic Analysis of Molecular Motifs (PAMM)
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