【Hackathon 10th Spring No.7】wD-MPNN模型复现#275
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megemini wants to merge 4 commits intoPaddlePaddle:developfrom
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【Hackathon 10th Spring No.7】wD-MPNN模型复现#275megemini wants to merge 4 commits intoPaddlePaddle:developfrom
megemini wants to merge 4 commits intoPaddlePaddle:developfrom
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添加readme说明，参考issue里的合入说明
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这个文件的作用是什么，rdkit的相关功能套件已有实现，是否可以复用
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这个文件是原项目 polymer-chemprop/chemprop/rdkit.py 的映射，以及一些其他工具方法，我再看一下是否可以使用现有套件中的工具代替 ～
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原始项目中 polymer-chemprop/chemprop/models/model.py polymer-chemprop/chemprop/models/mpn.py 就是两个文件，mpn.py 中放的是 encoder，model 里面放的是模型。
我看到您在 #252 里面的留言，意思是说，把这两个文件合并到一个 model.py 文件中?
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此 PR 仅针对 wD-MPNN 模型集成到 PaddleMaterials 中进行了尝试。
模型的转换目前看只依赖 RDKit ，本地的一些测试是通过了，还需要补充 readme 文档并进行复测。
关联：PaddlePaddle/community#1349
https://github.com/PaddlePaddle/community/blob/master/hackathon/hackathon_10th/%E3%80%90Hackathon_10th%E3%80%91%E5%BC%80%E6%BA%90%E8%B4%A1%E7%8C%AE%E4%B8%AA%E4%BA%BA%E6%8C%91%E6%88%98%E8%B5%9B%E6%98%A5%E8%8A%82%E7%89%B9%E5%88%AB%E5%AD%A3%E2%80%94%E4%BB%BB%E5%8A%A1%E5%90%88%E9%9B%86.md#no6---no19-paddlemateirals%E6%A8%A1%E5%9E%8B%E5%A4%8D%E7%8E%B0
#194