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Add cgcnn megnet #405

Merged
merged 47 commits into from
Nov 6, 2019
Merged

Add cgcnn megnet #405

merged 47 commits into from
Nov 6, 2019

Commits on Sep 3, 2019

  1. add MEGNet model

    @nissy-dev
    nissy-dev committed Sep 3, 2019
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  2. apply megent to qm9 example

    @nissy-dev
    nissy-dev committed Sep 3, 2019
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  3. add base class for collecting mp

    @nissy-dev
    nissy-dev committed Sep 3, 2019
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  4. fix comment

    @nissy-dev
    nissy-dev committed Sep 3, 2019
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Commits on Sep 4, 2019

  1. update example

    @nissy-dev
    nissy-dev committed Sep 4, 2019
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Commits on Sep 5, 2019

  1. supprot mp database dataloader

    @nissy-dev
    nissy-dev committed Sep 5, 2019
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  2. Merge branch 'megnet-1' of ssh://github.com/nd-02110114/chainer-chemi… 

    …stry into megnet-1
    @nissy-dev
    nissy-dev committed Sep 5, 2019
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  3. fix bug for example

    @nissy-dev
    nissy-dev committed Sep 5, 2019
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  4. fix bug

    @nissy-dev
    nissy-dev committed Sep 5, 2019
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  5. fix flake8 error

    @nissy-dev
    nissy-dev committed Sep 5, 2019
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  6. fix flake8 error

    @nissy-dev
    nissy-dev committed Sep 5, 2019
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Commits on Sep 10, 2019

  1. refactor considering memory budget

    @nissy-dev
    nissy-dev committed Sep 10, 2019
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  2. fix example

    @nissy-dev
    nissy-dev committed Sep 10, 2019
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  3. Merge pull request chainer#2 from nd-02110114/mp-refactor 

    refactor considering memory budget
    @nissy-dev
    nissy-dev committed Sep 10, 2019
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  4. remove unused line

    @nissy-dev
    nissy-dev committed Sep 10, 2019
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Commits on Sep 11, 2019

  1. refactor converter method

    @nissy-dev
    nissy-dev committed Sep 11, 2019
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  2. Merge remote-tracking branch 'upstream/master' into refactor-converter

    @nissy-dev
    nissy-dev committed Sep 11, 2019
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  3. fix merge mistake & flake8 error

    @nissy-dev
    nissy-dev committed Sep 11, 2019
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  4. Merge pull request chainer#3 from nd-02110114/refactor-converter 

    Refactor converter
    @nissy-dev
    nissy-dev committed Sep 11, 2019
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Commits on Sep 12, 2019

  1. add dropout flag for MEGNet

    @nissy-dev
    nissy-dev committed Sep 12, 2019
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  2. add cgcnn model

    @nissy-dev
    nissy-dev committed Sep 12, 2019
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  3. Merge pull request chainer#4 from nd-02110114/cgcnn 

    Cgcnn
    @nissy-dev
    nissy-dev committed Sep 12, 2019
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  4. fix model description

    @nissy-dev
    nissy-dev committed Sep 12, 2019
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  5. improve comment

    @nissy-dev
    nissy-dev committed Sep 12, 2019
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  6. remove unused comment

    @nissy-dev
    nissy-dev committed Sep 12, 2019
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Commits on Sep 16, 2019

  1. add megnet model test

    @nissy-dev
    nissy-dev committed Sep 16, 2019
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  2. refactor for testing

    @nissy-dev
    nissy-dev committed Sep 16, 2019
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Commits on Sep 20, 2019

  1. improve docstring & fix by review

    @nissy-dev
    nissy-dev committed Sep 20, 2019
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  2. update readme

    @nissy-dev
    nissy-dev committed Sep 20, 2019
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  3. fix bug about preprocessor & improve docstring

    @nissy-dev
    nissy-dev committed Sep 20, 2019
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  4. update readme

    @nissy-dev
    nissy-dev committed Sep 20, 2019
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  5. fix by review

    @nissy-dev
    nissy-dev committed Sep 20, 2019
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  6. fix bug for mp dataset class

    @nissy-dev
    nissy-dev committed Sep 20, 2019
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Commits on Sep 22, 2019

  1. add activation flag & improve docstring

    @nissy-dev
    nissy-dev committed Sep 22, 2019
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  2. fix variable name & formatting for preprocessor method

    @nissy-dev
    nissy-dev committed Sep 22, 2019
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  3. Merge branch 'master' into megnet-1

    @nissy-dev
    nissy-dev committed Sep 22, 2019
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  4. add cgcnn & megnet test

    @nissy-dev
    nissy-dev committed Sep 22, 2019
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  5. add megnet_softplus test

    @nissy-dev
    nissy-dev committed Sep 22, 2019
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Commits on Sep 23, 2019

  1. fix ci for python 2.7

    @nissy-dev
    nissy-dev committed Sep 23, 2019
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  2. fix comment

    @nissy-dev
    nissy-dev committed Sep 23, 2019
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Commits on Sep 27, 2019

  1. fix train command in readme

    @nissy-dev
    nissy-dev committed Sep 27, 2019
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  2. fix for gpu about reshaped_feat method of MEGNet

    @nissy-dev
    nissy-dev committed Sep 27, 2019
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  3. fix initializing process of atom feature about cgcnn

    @nissy-dev
    nissy-dev committed Sep 27, 2019
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Commits on Oct 3, 2019

  1. Merge pull request chainer#396 from nd-02110114/megnet-1 

    Crystal Support
    @corochann
    corochann committed Oct 3, 2019
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  2. Merge branch 'master' into mp_auto_download 

    # Conflicts:
#	README.md
#	chainer_chemistry/models/prediction/graph_conv_predictor.py
#	examples/qm9/train_qm9.py
    corochann committed Oct 3, 2019
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Commits on Oct 23, 2019

  1. refactor Nisikawa san's work

    corochann committed Oct 23, 2019
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Commits on Nov 5, 2019

  1. Merge branch 'master' into add_cgcnn_megnet

    corochann committed Nov 5, 2019
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