chainer / chainer-chemistry

Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

MIT License

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Implement MPNN model #312

Closed natsukium closed 5 years ago

natsukium commented 5 years ago

I add MPNN (https://arxiv.org/abs/1704.01212) model. Ref. #300

Progress

[x] Update layer
- [x] Edge Network
[x] Readout layer
- [x] Set2Set layer
[x] Model
[ ] ~~Inputsize invariant~~ later

codecov-io commented 5 years ago

Codecov Report

Merging #312 into master will increase coverage by 0.45%. The diff coverage is 90.37%.

@@            Coverage Diff             @@
##           master     #312      +/-   ##
==========================================
+ Coverage   80.42%   80.87%   +0.45%     
==========================================
  Files         197      205       +8     
  Lines        8994     9420     +426     
==========================================
+ Hits         7233     7618     +385     
- Misses       1761     1802      +41

natsukium commented 5 years ago

Done. Please confirm.

mottodora commented 5 years ago

LGTM!