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License: Other
Graph Inference on MoLEcular Topology
License: Other
Hello! Our static bug checker has found a performance issue in lime/scripts/lipo_gru/ht_lipo_gru.py: init
is repeatedly called in a for loop, but there are several tf.function decorated functions call
, call
and call
defined and called in init
.
In that case, when init
is called in a loop, the function call
will create a new graph every time, and that can trigger tf.function retracing warning.
Similar issues in:
lime/scripts/lipo_gru/ht_lipo_ind_gru.py, lime/scripts/elf_with_wbo/ht_elf_with_wbo.py, lime/scripts/partial_charge/ht_charge.py and lime/scripts/partial_charge/ht_charge_fast.py.
Here is the tensorflow document to support it.
Briefly, for better efficiency, it's better to use:
@tf.function
def inner():
pass
def outer():
inner()
than:
def outer():
@tf.function
def inner():
pass
inner()
Looking forward to your reply.
Hello Sir/Madam,
I am student of mathematical modelling and simulation and referring the Graph Net work for my project. I am facing issue saving the model.(Unable to save it.)
Can you help me how can I save the model?
This will be of great help to my project.
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