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yigbt · Nov 20, 2024 · a3d5ac6 · a3d5ac6
1 parent ff9d0e5
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Showing 5 changed files with 9 additions and 3 deletions.
diff --git a/.gitignore b/.gitignore
@@ -7,7 +7,6 @@ predictions
 .RDataFiles
 input_datasets
 output_data
-data
 singularity_container/dfpl.sif
 dfpl/testDFPLwithDCdata.py
 __pycache__

diff --git a/.sweep.yaml.swp b/.sweep.yaml.swp
diff --git a/data b/data
@@ -0,0 +1 @@
+/data/bioinf/projects/data/2022_deepFPlearn/input_datasets/
diff --git a/example/herg10uM_sliced_predict.json b/example/herg10uM_sliced_predict.json
@@ -1,10 +1,10 @@
 {
   "py/object": "dfpl.options.Options",
   "inputFile": "data/herg_10uM_NN_sliced_minus2to2.csv",
-  "outputDir": "example/herg_10uM/predict/comp_sliced/",
+  "outputDir": "example/herg_10/predict/comp_sliced/",
   "outputFile": "predict_data_AR.csv",
   "ecModelDir": "example/models/generic_encoder",
-  "fnnModelDir": "example/herg_10uM/train/comp_sliced/AR_saved_model/",
+  "fnnModelDir": "example/herg_10/train/comp_sliced/AR_saved_model/",
   "compressFeatures": true,
   "trainAC": false,
   "trainFNN": false,

diff --git a/example/herg_10uM/predict/predict.log b/example/herg_10uM/predict/predict.log
@@ -0,0 +1,6 @@
+2024-11-15 17:08:41,795 - root - INFO - The following arguments are received or filled with default values:
+Namespace(method='predict', configFile='/home/shanavas/PycharmProjects/generate_dfpl_regression_data/example/herg10uM_sliced_predict.json')
+2024-11-15 17:08:42,956 - tensorflow - WARNING - No training configuration found in save file, so the model was *not* compiled. Compile it manually.
+2024-11-15 17:08:42,957 - root - INFO - Adding compressed fingerprints
+2024-11-15 17:08:42,984 - root - INFO - Using input matrix of shape (31992, 2048) with type bool
+2024-11-15 17:08:42,984 - root - INFO - Compressed fingerprints are added to input dataframe.
Original file line number	Diff line number	Diff line change
		@@ -0,0 +1 @@
		/data/bioinf/projects/data/2022_deepFPlearn/input_datasets/