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Commits on Jan 31, 2025

• Update kmeans.jl

  joannajzou

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• update kmeans.jl

  joannajzou

  committed
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• update KMeans struct

  joannajzou

  committed
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Commits on Jan 30, 2025

• add 1D PCE functionality

  joannajzou

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Commits on Sep 25, 2024

• rm PotentialLearningExt dep

  joannajzou

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• rm AtomisticQoIs dep

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Commits on Jul 11, 2024

• Merge pull request #2 from cesmix-mit/refactor

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  joannajzou

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• minor fix to kmeans

  joannajzou

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  a9c6794

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• update README

  joannajzou

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Commits on Jun 20, 2024

• minor fix to kmeans

  joannajzou

  committed
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• add Clustering dep

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• add KMeans <: SubsetSelector

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• add MaxVolSubset <: SubsetSelector

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• minor fix

  joannajzou

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Commits on Jun 11, 2024

• add ProgressBars with Threads

  joannajzou

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• update System definition in data/system

  joannajzou

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• update training dir

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• GP variance methods and tests

  joannajzou

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• update compute_local_descriptors to save descriptor data

  joannajzou

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• restructure activelearning dir

  joannajzou

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Commits on May 23, 2024

• restructure ALRoutine

  joannajzou

  committed
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• minor corrections to plots

  joannajzou

  committed
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• update examples

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• add subselector methods

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Commits on May 22, 2024

• rearrangements

  joannajzou

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• update compute_descriptor methods for PolynomialChaos

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• create tests

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• interface AtomsBase & Molly Systems

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Commits on May 21, 2024

• dispatch fisher_divergence on Integrator type

  joannajzou

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• update Molly and add AtomsCalculators dep

  joannajzou

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• consolidate system/ensemble functions

  joannajzou

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• make fixed sys in sSVGD optional

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• add observable value to TriggerLogger

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• move get_values, has_step_property

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• standardize triggers to receive sys.data Dict

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