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ECP-CANDLE
ECP-CANDLE Benchmarks
tc1_pytorch2.py is a functional pytorch file that only works for the default model. tc1_pytorch.py is a pytorch file that is intended to work for any example but currently does not...
`Traceback (most recent call last): File "p2b1_baseline_keras2.py", line 298, in main() File "p2b1_baseline_keras2.py", line 294, in main run(gParameters) File "p2b1_baseline_keras2.py", line 231, in run molecular_model.compile(optimizer=opt, loss=loss_func, metrics=['mean_squared_error', 'mean_absolute_error']) File "/nfs/gce/software/custom/linux-ubuntu18.04-x86_64/anaconda3/rolling/envs/candle-tf1/lib/python3.7/site-packages/keras/engine/training.py",...
When I try to run ```python python uno_baseline_keras2.py --config_file uno_by_drug_example.txt ``` I am getting the following error: ```shell Traceback (most recent call last): File "uno_baseline_keras2.py", line 555, in main() File...
Avoid appending to xt_all and yt_all during datagen by stashing xt and yt arrays in a python list. Concatenate all the xt and yt arrays after all datagen frames have...
``` ./Pilot1/P1B3/p1b3.py:import logging ./Pilot1/P1B3/p1b3_baseline_keras2.py:import logging ./Pilot1/Uno_UQ/uno_holdoutUQ_data.py:import logging ./Pilot1/Uno_UQ/uno_inferUQ_keras2.py:import logging ./Pilot1/Uno_UQ/uno_trainUQ_keras2.py:import logging ./Pilot1/Uno_UQ/data_utils_/uno_combined_data_loader.py:import logging ./Pilot1/Uno_UQ/data_utils_/uno.py:import logging ./Pilot1/P1B2/p1b2.py:import logging ./Pilot1/P1B2/p1b2_baseline_neon.py:import logging ./Pilot1/TC1/tc1.py:import logging ./Pilot1/Combo/combo_baseline_keras2.py:import logging ./Pilot1/Combo/combo_dose.py:import logging ./Pilot1/Combo/combo.py:import logging ./Pilot1/UnoMT/utils/data_processing/label_encoding.py:import logging ./Pilot1/UnoMT/utils/data_processing/dataframe_scaling.py:import...
The keras_utils.py code requires print() to be treated as a function.
Need a README at this https://github.com/ECP-CANDLE/Benchmarks/tree/develop/Pilot3 level and folders inside.
save is defined and assigned a value in uno_default_params.txt when --save is specified on the command line, it does not override the value in the default_params.txt file when i hack...
It would be nice to have the optimizer string be case insensitive. For example, build_optimizer could accept both 'sgd' and 'SGD' as valid optimizers.