chainer_chemistry.links.EmbedAtomID

class chainer_chemistry.links.EmbedAtomID(out_size, in_size=117, initialW=None, ignore_label=None)

Embeddning specialized to atoms.

This is a chain in the sense of Chainer that converts an atom, represented by a sequence of molecule IDs, to a sequence of embedding vectors of molecules. The operation is done in a minibatch manner, as most chains do.

The forward propagation of link consists of ID embedding, which converts the input x into vector embedding h where its shape represents (minibatch, atom, channel)

See also

chainer.links.EmbedID

__init__(out_size, in_size=117, initialW=None, ignore_label=None)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__(out_size[, in_size, initialW, …])	Initialize self.
add_hook(hook[, name])	Registers a link hook.
add_param(name[, shape, dtype, initializer])	Registers a parameter to the link.
add_persistent(name, value)	Registers a persistent value to the link.
addgrads(link)	Accumulates gradient values from given link.
children()	Returns a generator of all child links.
cleargrads()	Clears all gradient arrays.
copy([mode])	Copies the link hierarchy to new one.
copyparams(link[, copy_persistent])	Copies all parameters from given link.
count_params()	Counts the total number of parameters.
delete_hook(name)	Unregisters the link hook.
disable_update()	Disables update rules of all parameters under the link hierarchy.
enable_update()	Enables update rules of all parameters under the link hierarchy.
forward(x)	Extracts the word embedding of given IDs.
init_scope()	Creates an initialization scope.
links([skipself])	Returns a generator of all links under the hierarchy.
namedlinks([skipself])	Returns a generator of all (path, link) pairs under the hierarchy.
namedparams([include_uninit])	Returns a generator of all (path, param) pairs under the hierarchy.
params([include_uninit])	Returns a generator of all parameters under the link hierarchy.
register_persistent(name)	Registers an attribute of a given name as a persistent value.
repeat(n_repeat[, mode])	Repeats this link multiple times to make a Sequential.
serialize(serializer)	Serializes the link object.
to_cpu()	Copies parameter variables and persistent values to CPU.
to_gpu([device])	Copies parameter variables and persistent values to GPU.
to_intel64()	Copies parameter variables and persistent values to CPU.
zerograds()	Initializes all gradient arrays by zero.

Attributes

ignore_label
local_link_hooks	Ordered dictionary of registered link hooks.
update_enabled	True if at least one parameter has an update rule enabled.
within_init_scope	True if the current code is inside of an initialization scope.
xp	Array module for this link.