Models¶
Model implementations¶
chainer_chemistry.models.NFP |
Neural Finger Print (NFP) | ||
chainer_chemistry.models.GGNN |
Gated Graph Neural Networks (GGNN) | ||
chainer_chemistry.models.MLP |
Basic implementation for MLP | ||
chainer_chemistry.models.SchNet |
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chainer_chemistry.models.WeaveNet |
WeaveNet implementation |
Wrapper models¶
chainer_chemistry.models.BaseForwardModel |
A base model which supports forward functionality. |
chainer_chemistry.models.Classifier |
A simple classifier model. |
chainer_chemistry.models.Regressor |
A simple regressor model. |