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Commits on Aug 14, 2020

• v0.7.1

  

  corochann

  committed
  c2948f6

• numpy update

  

  corochann

  committed
  883e5c0

• refactor code

  

  corochann

  committed
  84efac6

Commits on Aug 1, 2020

• Fix typo in gin_gwle

  k-ishiguro

  committed
  89c4c1e

Commits on Jul 30, 2020

• Fix findmaxidx

  delta2323

  committed
  9621c83

• Fix typo

  delta2323

  committed
  0131c41

Commits on Jul 29, 2020

• remove DC split config

  k-ishiguro

  committed
  2cf88ce

• fix DocString format

  k-ishiguro

  committed
  04bf075

• test files moved to test dir

  k-ishiguro

  committed
  f924de5

• Converters fixed

  k-ishiguro

  committed
  202b7f7

Commits on Jul 21, 2020

• remove internal scripts

  k-ishiguro

  committed
  0851aad

• remove internal scripts

  k-ishiguro

  committed
  cf88343

• set the config back to normal

  k-ishiguro

  committed
  1948bf7

Commits on Apr 6, 2020

• Validated by test runs on GPU/Kubernetes, LGTM

  k-ishiguro

  committed
  4dd8037

• rename nne --> nle

  Show description for b90e451
  k-ishiguro

  committed
  b90e451

• test run works locally on tox21/qm9 + nfp/rsgcn

  k-ishiguro

  committed
  2e83d89

Commits on Dec 9, 2019

• Merge pull request #411 from corochann/v0.7.0

  Show description for 56e83de
  mottodora

  authored
  56e83de

• fix flake8

  

  corochann

  committed
  b74f60c

• update version to 0.7.0

  

  corochann

  committed
  45caa6b

• fix distance calculation

  

  corochann

  committed
  f73daaa

• use n_layers=1 for readout

  

  corochann

  committed
  183b6a1

Commits on Nov 17, 2019

• add skip_intermediate option

  

  corochann

  committed
  761de72

Commits on Nov 5, 2019

• Merge branch 'master' into add_cgcnn_megnet

  

  corochann

  committed
  fb22a79

Commits on Oct 23, 2019

• refactor Nisikawa san's work

  

  corochann

  committed
  53ed4f1

Commits on Oct 3, 2019

• Merge branch 'master' into mp_auto_download

  Show description for 0c0797d
  

  corochann

  committed
  0c0797d

Commits on Sep 27, 2019

• fix initializing process of atom feature about cgcnn

  nissy-dev

  committed
  260a8c5

• fix for gpu about reshaped_feat method of MEGNet

  nissy-dev

  committed
  5a8b927

• support auto dataset download

  

  corochann

  committed
  6b1aa83

• use tqdm

  

  corochann

  committed
  aff2903

Commits on Sep 23, 2019

• fix comment

  nissy-dev

  committed
  4ffb5e0

• fix ci for python 2.7

  nissy-dev

  committed
  801468d

Commits on Sep 22, 2019

• add cgcnn & megnet test

  nissy-dev

  committed
  c8f4a22

• Merge branch 'master' into megnet-1

  nissy-dev

  committed
  54de77f

• fix variable name & formatting for preprocessor method

  nissy-dev

  committed
  85d5bb0

• add activation flag & improve docstring

  nissy-dev

  committed
  8ec9a4e

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