PADME
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simonfqy
This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep learning.
Running on dataset: tc_full_kinase ------------------------------------- Traceback (most recent call last): File "driver.py", line 831, in tf.compat.v1.app.run(main=run_analysis, argv=[sys.argv[0]] + unparsed) File "/home/pharma1/anaconda3/envs/DeepChem/lib/python3.7/site-packages/tensorflow/python/platform/app.py", line 40, in run _run(main=main, argv=argv, flags_parser=_parse_flags_tolerate_undef) File "/home/pharma1/anaconda3/envs/DeepChem/lib/python3.7/site-packages/absl/app.py",...
Dear Sir, I could not understand how the SMILES format is converted to ECFP to feed in the input layer of the model. Moreover, I could not understand how you...
I modified your source code, added model.save() at the end of the training, saved the model file, I ran your drive_d.sh file and got the model file model.pickle Now I...
Hello @simonfqy. Please, I would like to find out whether the Kd, Ki, and KIBA values of the Davis, Metz, and KIBA datasets in this repo have been transformed following...
The current code is okay but some of the scripts are too complicated to understand, like `splits/splitters.py`, `metrics/__init__.py`, `./NCI60_data/preprocess.py`, often with large chunks of duplicated code. Some improvements are desired,...
Hello, I updated your latest code, and then used the davis dataset you provided to build two scripts for training and forecasting. The training can be done normally, but I...