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