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Commits on Jan 18, 2025

• Update adsorbate.py

  woshicc

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Commits on May 21, 2024

• 'update sn'

  woshicc

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Commits on May 9, 2024

• update site neighbors

  woshicc

  committed
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• update site neighbors

  woshicc

  committed
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Commits on Apr 23, 2024

• update mean_site_neighbors

  woshicc

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Commits on May 30, 2023

• Update adsorbate.py

  woshicc

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Commits on Mar 25, 2020

• v0.6.2

  mhangaard

  committed
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• Merge pull request #90 from ikowalec/WIP_FHI-aims_compatibility

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  Martin Hangaard Hansen

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Commits on Mar 12, 2020

• Update mlneb.py

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  ikowalec

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Commits on Mar 9, 2020

• Merge pull request #85 from schlexer/master

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  Martin Hangaard Hansen

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Commits on Mar 8, 2020

• Merge branch 'master' into master

  schlexer

  authored
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Commits on Mar 5, 2020

• ASE/FHI-aims compatibility

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  ikowalec

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Commits on Mar 2, 2020

• Merge pull request #89 from mhangaard/hotfix/impute

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  Martin Hangaard Hansen

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• Hotfix/mlneb nsteps (#88)

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  Martin Hangaard Hansen

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• compatibility updates

  mhangaard

  committed
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• use to_numpy instead of values

  mhangaard

  committed
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• update pandas

  mhangaard

  committed
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• fix dimensions for pearsonsr

  mhangaard

  committed
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• update import for newer sklearn

  mhangaard

  committed
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• upgrade werkzeug

  mhangaard

  committed
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• use nsteps attribute

  mhangaard

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Commits on Oct 20, 2019

• Fixed gene vs. chromosomes.

  schlexer

  committed
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Commits on Aug 22, 2019

• Drop Python 2.7 and 3.5 support.

  schlexer

  committed
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Commits on Aug 8, 2019

• Added the site_stability submodule with rich functionality for site featurization and GA model selection.

  schlexer

  committed
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Commits on Jul 12, 2019

• Imporved outlier removal and mono-elementary systems.

  schlexer

  committed
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• Added new featurization functionality: mean/max/min/std for ensemble features, better outlier removal.

  schlexer

  committed
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• Added new featurization functionality: mean/max/min/std for ensemble features, better outlier removal.

  schlexer

  committed
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• Added new featurization functionality: mean/max/min/std for ensemble features, better outlier removal.

  schlexer

  committed
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Commits on May 30, 2019

• python 2.7 compatibility

  schlexer

  committed
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• python 2.7 compatibility

  schlexer

  committed
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Commits on May 24, 2019

• Site creation improvement.

  schlexer

  committed
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Commits on May 17, 2019

• Merge pull request #83 from mhangaard/ase_connectivity

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  mhangaard

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• molecules cutoffs

  mhangaard

  committed
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• zero skin

  mhangaard

  committed
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Commits on May 16, 2019

• Merge pull request #81 from jianglst/fix_ligand_atoms_bug

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  mamunm

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