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Data #10

Merged
merged 2 commits into from
Jun 7, 2022
Merged

Data #10

merged 2 commits into from
Jun 7, 2022

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AntObi
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@AntObi AntObi commented Jun 7, 2022

The following element representations have been added (#4 ):

  • magpie
  • mat2vec
  • megnet16
  • mod_petti
  • oliynyk
  • random_200
  • skipatom

Additionally the following changes have been included:

  • Additionally, a class method to plot t-SNE plots has been added. (Visualisation: More variety of visualising embeddings #7 )
  • Removed the class method .element_list() and replaced with a class property element_list
  • Added an class property 'dim' which returns the dimensions of the atomic embedding vector
  • Removed redundant class methods
  • Updated package version
  • Added a README in the data folder which includes hyperlinked references to the papers from where the elemental representations have been sourced.
  • Where an elemental representation comes from a chemically derived source, a collapsible section has been added which describes the features of that representation.

The following element representations have been added:
magpie
mat2vec
megnet16
mod_petti
oliynyk
random_200
skipatom

Additionally, a class method to plot t-SNE plots has been added.

Removed the class method .element_list() and replaced with a class property element_list

Added an class property 'dim' which returns the dimensions of the atomic embedding vector

Removed redundant class methods

Updated package version
Added a README in the data folder which includes hyperlinked references to the papers from where the elemental representations have been sourced.

Where an elemental representation comes from a chemically derived source, a collapsible section has been added which describes the features of that representation.
@AntObi AntObi merged commit eaec1dc into main Jun 7, 2022
@AntObi AntObi deleted the data branch June 7, 2022 17:40
@AntObi AntObi restored the data branch June 13, 2022 16:53
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