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  • Exercises in “Materials Informatics” (KYORITSU SHUPPAN, in Japanese)
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xenonpy
  • Overview: module code

All modules for which code is available

  • setup
  • torch.nn.modules.loss
  • xenonpy.contrib.extend_descriptors.descriptor.frozen_featurizer_descriptor
  • xenonpy.contrib.extend_descriptors.descriptor.mordred_descriptor
  • xenonpy.contrib.extend_descriptors.descriptor.organic_comp_descriptor
  • xenonpy.datatools.dataset
  • xenonpy.datatools.preset
  • xenonpy.datatools.splitter
  • xenonpy.datatools.transform
  • xenonpy.descriptor.base
  • xenonpy.descriptor.cgcnn
  • xenonpy.descriptor.compositions
  • xenonpy.descriptor.fingerprint
  • xenonpy.descriptor.frozen_featurizer
  • xenonpy.descriptor.structure
  • xenonpy.inverse.base
  • xenonpy.inverse.iqspr.estimator
  • xenonpy.inverse.iqspr.iqspr
  • xenonpy.inverse.iqspr.iqspr4df
  • xenonpy.inverse.iqspr.modifier
  • xenonpy.mdl.base
  • xenonpy.mdl.descriptor
  • xenonpy.mdl.mdl
  • xenonpy.mdl.method
  • xenonpy.mdl.model
  • xenonpy.mdl.modelset
  • xenonpy.mdl.property
  • xenonpy.model.cgcnn
  • xenonpy.model.nn.layer
  • xenonpy.model.nn.wrap
  • xenonpy.model.sequential
  • xenonpy.model.training.base
  • xenonpy.model.training.checker
  • xenonpy.model.training.clip_grad
  • xenonpy.model.training.dataset.array
  • xenonpy.model.training.dataset.cgcnn
  • xenonpy.model.training.extension.persist
  • xenonpy.model.training.extension.tensor_convert
  • xenonpy.model.training.extension.validator
  • xenonpy.model.training.lr_scheduler
  • xenonpy.model.training.optimizer
  • xenonpy.model.training.trainer
  • xenonpy.model.utils.metrics
  • xenonpy.utils.math.product
  • xenonpy.utils.parameter_gen
  • xenonpy.utils.useful_cls
  • xenonpy.utils.useful_func
  • xenonpy.visualization.heatmap

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