Rename deep_chem to deepchem (786a2ca9) · Commits · 钟慕尧 / deepchem

deep_chem/scripts/process_bace.sh

deleted100755 → 0

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# Usage ./process_bace.sh INPUT_SDF_FILE OUT_DIR DATASET_NAME

python -m deep_chem.scripts.modeler featurize --input-file $1 --input-type sdf --fields Name smiles pIC50 Model --field-types string string float string --name $3 --out $2 --prediction-endpoint pIC50

deep_chem/init.py→deepchem/init.py

+0 −0

File moved.

deep_chem/models/init.py→deepchem/models/init.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -10,9 +10,9 @@ import pandas as pd
		import joblib
		import os
		from keras.models import model_from_json
		from deep_chem.utils.dataset import NumpyDataset
		from deep_chem.utils.dataset import load_sharded_dataset
		from deep_chem.utils.dataset import save_sharded_dataset
		from deepchem.utils.dataset import NumpyDataset
		from deepchem.utils.dataset import load_sharded_dataset
		from deepchem.utils.dataset import save_sharded_dataset

		'''
		def get_parameter_filename(model_dir):

deep_chem/models/deep.py→deepchem/models/deep.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -5,7 +5,7 @@ import numpy as np
		from keras.models import Graph
		from keras.layers.core import Dense, Dropout
		from keras.optimizers import SGD
		from deep_chem.models import Model
		from deepchem.models import Model

		class MultiTaskDNN(Model):
		"""

deep_chem/models/deep3d.py→deepchem/models/deep3d.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -11,7 +11,7 @@ from keras.optimizers import RMSprop
		from keras.models import Sequential
		from keras.layers.core import Dense, Dropout, Activation, Flatten
		from keras.layers.convolutional import Convolution3D, MaxPooling3D
		from deep_chem.models import Model
		from deepchem.models import Model

		def shuffle_shape(shape):
		(axis_length, _, _, n_channels) = shape

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