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88102789/cell_11
[ "text_plain_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') df.head()
code
88102789/cell_19
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='alone', hue='alive', palette='deep')
code
88102789/cell_7
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.distplot(df['fare'], kde=False, bins=30, color='y')
code
88102789/cell_18
[ "text_html_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='alive', hue='alone', palette='deep')
code
88102789/cell_8
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.kdeplot(df['fare'], shade=True, color='y')
code
88102789/cell_15
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') df['who'].unique()
code
88102789/cell_16
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='alive', hue='who', palette='deep')
code
88102789/cell_3
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') df.head()
code
88102789/cell_17
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='who', hue='alive', palette='deep')
code
88102789/cell_24
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='alone', hue='sex')
code
88102789/cell_14
[ "text_plain_output_2.png", "application_vnd.jupyter.stderr_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='alive', hue='sex', palette='deep')
code
88102789/cell_22
[ "text_plain_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='embark_town', hue='class', palette='deep')
code
88102789/cell_10
[ "text_html_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.jointplot(data=df[df['fare'] <= 100], x='age', y='fare', kind='scatter', color='c')
code
88102789/cell_12
[ "text_plain_output_2.png", "application_vnd.jupyter.stderr_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.countplot(data=df, x='survived', palette='dark')
code
88102789/cell_5
[ "text_plain_output_1.png", "image_output_1.png" ]
import seaborn as sns df = sns.load_dataset('titanic') sns.distplot(df['age'], kde=False, bins=30, color='m')
code
104117096/cell_13
[ "text_html_output_1.png" ]
import glob import numpy as np import pandas as pd import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*') images_path = glob.glob('../input/skin-cancer-mnist-ham10000/HAM10000_images_part_1/*') img_id = [] for i in images_path:...
code
104117096/cell_4
[ "text_plain_output_1.png" ]
import glob import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*') images_path = glob.glob('../input/skin-cancer-mnist-ham10000/HAM10000_images_part_1/*') img_id = [] for i in images_path: img_id.append(i.split('/')[4].split(...
code
104117096/cell_6
[ "text_plain_output_1.png" ]
import pandas as pd data = pd.read_csv('../input/skin-cancer-mnist-ham10000/HAM10000_metadata.csv') data.info()
code
104117096/cell_2
[ "text_plain_output_1.png" ]
import glob import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*')
code
104117096/cell_7
[ "image_output_1.png" ]
import glob import pandas as pd import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*') images_path = glob.glob('../input/skin-cancer-mnist-ham10000/HAM10000_images_part_1/*') img_id = [] for i in images_path: img_id.append(i...
code
104117096/cell_15
[ "text_plain_output_1.png" ]
import glob import numpy as np import pandas as pd import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*') images_path = glob.glob('../input/skin-cancer-mnist-ham10000/HAM10000_images_part_1/*') img_id = [] for i in images_path:...
code
104117096/cell_16
[ "text_plain_output_1.png" ]
import glob import matplotlib.pyplot as plt import numpy as np import pandas as pd import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*') images_path = glob.glob('../input/skin-cancer-mnist-ham10000/HAM10000_images_part_1/*') ...
code
104117096/cell_10
[ "text_plain_output_1.png" ]
import pandas as pd data = pd.read_csv('../input/skin-cancer-mnist-ham10000/HAM10000_metadata.csv') img_with_class = data.loc[:, ['image_id', 'dx']].to_dict('list') img_with_class.keys()
code
104117096/cell_12
[ "text_plain_output_1.png" ]
import glob import numpy as np import pandas as pd import numpy as np import pandas as pd import matplotlib.pyplot as plt import os import glob glob.glob('../input/skin-cancer-mnist-ham10000/*') images_path = glob.glob('../input/skin-cancer-mnist-ham10000/HAM10000_images_part_1/*') img_id = [] for i in images_path:...
code
104117096/cell_5
[ "text_plain_output_1.png" ]
import pandas as pd data = pd.read_csv('../input/skin-cancer-mnist-ham10000/HAM10000_metadata.csv') data.head()
code
17118100/cell_21
[ "application_vnd.jupyter.stderr_output_2.png", "text_plain_output_1.png" ]
from google.cloud import bigquery import os import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '....
code
17118100/cell_13
[ "application_vnd.jupyter.stderr_output_2.png", "text_plain_output_1.png" ]
from google.cloud import bigquery import os import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id...
code
17118100/cell_9
[ "text_html_output_1.png" ]
from google.cloud import bigquery import os import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id) job_config ...
code
17118100/cell_20
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery import os import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '....
code
17118100/cell_19
[ "application_vnd.jupyter.stderr_output_2.png", "text_plain_output_1.png" ]
from google.cloud import bigquery import os import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '....
code
17118100/cell_1
[ "text_plain_output_1.png" ]
import os import numpy as np import pandas as pd import os print(os.listdir('../input'))
code
17118100/cell_7
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery import os import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id) job_config ...
code
17118100/cell_8
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery import os import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id) job_config ...
code
17118100/cell_15
[ "application_vnd.jupyter.stderr_output_2.png", "text_plain_output_1.png" ]
from google.cloud import bigquery import os import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id...
code
17118100/cell_16
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery import os import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id...
code
17118100/cell_3
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US')
code
17118100/cell_17
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery import os import time import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id...
code
17118100/cell_10
[ "text_plain_output_1.png" ]
from google.cloud import bigquery import os import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id) job_config ...
code
17118100/cell_12
[ "application_vnd.jupyter.stderr_output_2.png", "text_plain_output_1.png" ]
from google.cloud import bigquery import os import numpy as np import pandas as pd import os PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id) job_config ...
code
17118100/cell_5
[ "application_vnd.jupyter.stderr_output_1.png" ]
from google.cloud import bigquery PROJECT_ID = 'YOUR_OWN_PROJECT_ID' from google.cloud import bigquery client = bigquery.Client(project=PROJECT_ID, location='US') path = '../input/' dataset_id = 'titanic' dataset_ref = client.dataset(dataset_id) job_config = bigquery.LoadJobConfig() job_config.source_format = bigquer...
code
129037699/cell_13
[ "text_plain_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df dfsorted = df.sort_values('Global_Sales', ascending=False) top20 = dfsorted.head(20) top20 NAsorted = df.sort_values('NA_Sales', ascending=False) NA_median = NAsorted['NA_Sales'].med...
code
129037699/cell_9
[ "text_plain_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df genre = df['Genre'].value_counts().idxmax() genre
code
129037699/cell_11
[ "text_html_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df dfsorted = df.sort_values('Global_Sales', ascending=False) top20 = dfsorted.head(20) top20
code
129037699/cell_1
[ "text_plain_output_1.png" ]
import os import numpy as np import pandas as pd import os for dirname, _, filenames in os.walk('/kaggle/input'): for filename in filenames: print(os.path.join(dirname, filename))
code
129037699/cell_7
[ "text_plain_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df platform = df['Platform'].value_counts().idxmax() platform
code
129037699/cell_15
[ "text_plain_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df dfsorted = df.sort_values('Global_Sales', ascending=False) top20 = dfsorted.head(20) top20 NAsorted= df.sort_values('NA_Sales', ascending=False) NA_median = NAsorted['NA_Sales'].medi...
code
129037699/cell_3
[ "text_html_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df
code
129037699/cell_17
[ "text_plain_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df dfsorted = df.sort_values('Global_Sales', ascending=False) top20 = dfsorted.head(20) top20 NAsorted= df.sort_values('NA_Sales', ascending=False) NA_median = NAsorted['NA_Sales'].medi...
code
129037699/cell_5
[ "text_html_output_1.png", "text_plain_output_1.png" ]
import pandas as pd # data processing, CSV file I/O (e.g. pd.read_csv) df = pd.read_csv('/kaggle/input/videogamesales/vgsales.csv') df publisher = df['Publisher'].value_counts().idxmax() publisher
code
16153263/cell_13
[ "text_plain_output_1.png" ]
from sklearn import metrics import pandas as pd train = pd.read_csv('../input/emnist-balanced-train.csv', header=None) test = pd.read_csv('../input/emnist-balanced-test.csv', header=None) train_data = train.values[:, 1:] train_labels = train.values[:, 0] test_data = test.values[:, 1:] test_labels = test.values[:, 0...
code
16153263/cell_2
[ "text_html_output_1.png" ]
import os import numpy as np import pandas as pd import matplotlib.pyplot as plt import os print(os.listdir('../input'))
code
16153263/cell_7
[ "application_vnd.jupyter.stderr_output_2.png", "text_plain_output_3.png", "text_plain_output_1.png" ]
import matplotlib.pyplot as plt import numpy as np import pandas as pd train = pd.read_csv('../input/emnist-balanced-train.csv', header=None) test = pd.read_csv('../input/emnist-balanced-test.csv', header=None) train_data = train.values[:, 1:] train_labels = train.values[:, 0] test_data = test.values[:, 1:] test_l...
code
16153263/cell_5
[ "image_output_1.png" ]
import pandas as pd train = pd.read_csv('../input/emnist-balanced-train.csv', header=None) train.head()
code
48165764/cell_3
[ "application_vnd.jupyter.stderr_output_1.png" ]
from sklearn.metrics import log_loss import numpy as np import pandas as pd intercept = 0.9668835542286371 coef = [-0.964522806, 1.17172755, 0.179847765, 0.715775158, 0.943909901, 0.771809223, 0.166641048, 3.36556037, -3.04227717, -1.27799877, 3.24426534, 0.0839780267, -2.01609571, -0.204835338, -0.915522223, -2.855...
code
128047328/cell_42
[ "image_output_1.png" ]
best = create_model('et') bagged_ensemble = ensemble_model(best)
code
128047328/cell_63
[ "text_html_output_2.png", "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem import deepchem as dc import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train[...
code
128047328/cell_21
[ "text_html_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train['SMILES'][:10] mol_lis...
code
128047328/cell_25
[ "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train['SMILES'][:10] mol_lis...
code
128047328/cell_4
[ "text_html_output_2.png", "text_plain_output_1.png" ]
pip install deepchem
code
128047328/cell_57
[ "application_vnd.jupyter.stderr_output_16.png", "application_vnd.jupyter.stderr_output_9.png", "application_vnd.jupyter.stderr_output_2.png", "application_vnd.jupyter.stderr_output_7.png", "application_vnd.jupyter.stderr_output_11.png", "application_vnd.jupyter.stderr_output_18.png", "application_vnd.ju...
from rdkit import Chem from rdkit.Chem import AllChem import deepchem as dc import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train[...
code
128047328/cell_23
[ "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train['SMILES'][:10] mol_lis...
code
128047328/cell_79
[ "text_html_output_2.png", "text_plain_output_1.png" ]
import deepchem as dc import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns X = df_train.drop(columns=['ID', 'Name', 'InChI', 'InChIKey', 'SMILES', 'SD', 'Oc...
code
128047328/cell_30
[ "text_html_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv...
code
128047328/cell_44
[ "text_html_output_2.png", "text_plain_output_1.png" ]
best = create_model('et') boosted_ensemble = ensemble_model(best, method='Boosting')
code
128047328/cell_20
[ "text_plain_output_1.png" ]
import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns X = df_train.drop(columns=['ID', 'Name', 'InChI', 'InChIKey', 'SMILES', 'SD', 'Ocurrences', 'Group', 'co...
code
128047328/cell_76
[ "text_html_output_1.png" ]
best_top3_models = compare_models(n_select=3)
code
128047328/cell_40
[ "text_plain_output_1.png" ]
best = create_model('et') plot_model(best, 'feature')
code
128047328/cell_29
[ "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv...
code
128047328/cell_39
[ "text_html_output_2.png", "text_plain_output_1.png" ]
best = create_model('et') plot_model(best, 'error')
code
128047328/cell_26
[ "application_vnd.jupyter.stderr_output_2.png", "application_vnd.jupyter.stderr_output_1.png" ]
best_top3_models = compare_models(n_select=3)
code
128047328/cell_48
[ "text_html_output_2.png", "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv...
code
128047328/cell_73
[ "application_vnd.jupyter.stderr_output_27.png", "application_vnd.jupyter.stderr_output_35.png", "application_vnd.jupyter.stderr_output_24.png", "application_vnd.jupyter.stderr_output_16.png", "application_vnd.jupyter.stderr_output_9.png", "application_vnd.jupyter.stderr_output_32.png", "application_vnd....
from rdkit import Chem from rdkit.Chem import AllChem import deepchem as dc import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train[...
code
128047328/cell_41
[ "image_output_1.png" ]
best = create_model('et') prediction_holdout = predict_model(best)
code
128047328/cell_2
[ "application_vnd.jupyter.stderr_output_1.png", "image_output_1.png" ]
pip install rdkit
code
128047328/cell_72
[ "text_plain_output_1.png" ]
import deepchem as dc import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns X = df_train.drop(columns=['ID', 'Name', 'InChI', 'InChIKey', 'SMILES', 'SD', 'Oc...
code
128047328/cell_67
[ "text_html_output_1.png" ]
best_top3_models = compare_models(n_select=3)
code
128047328/cell_60
[ "text_html_output_1.png" ]
best_top3_models = compare_models(n_select=3)
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128047328/cell_19
[ "text_plain_output_1.png" ]
import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns X = df_train.drop(columns=['ID', 'Name', 'InChI', 'InChIKey', 'SMILES', 'SD', 'Ocurrences', 'Group', 'co...
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128047328/cell_69
[ "text_html_output_2.png", "text_plain_output_1.png" ]
!pip install mordred
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128047328/cell_50
[ "application_vnd.jupyter.stderr_output_2.png", "application_vnd.jupyter.stderr_output_7.png", "application_vnd.jupyter.stderr_output_4.png", "application_vnd.jupyter.stderr_output_6.png", "application_vnd.jupyter.stderr_output_3.png", "application_vnd.jupyter.stderr_output_5.png", "application_vnd.jupyt...
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv...
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128047328/cell_64
[ "text_plain_output_1.png" ]
import deepchem as dc import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns X = df_train.drop(columns=['ID', 'Name', 'InChI', 'InChIKey', 'SMILES', 'SD', 'Oc...
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128047328/cell_45
[ "text_html_output_2.png", "text_plain_output_1.png" ]
best = create_model('et') boosted_ensemble_50estm = ensemble_model(best, method='Boosting', n_estimators=50)
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128047328/cell_32
[ "application_vnd.jupyter.stderr_output_9.png", "application_vnd.jupyter.stderr_output_2.png", "application_vnd.jupyter.stderr_output_7.png", "application_vnd.jupyter.stderr_output_11.png", "application_vnd.jupyter.stderr_output_4.png", "application_vnd.jupyter.stderr_output_6.png", "application_vnd.jupy...
best_top3_models = compare_models(n_select=3)
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128047328/cell_59
[ "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import deepchem as dc import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubili...
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128047328/cell_16
[ "application_vnd.jupyter.stderr_output_2.png", "application_vnd.jupyter.stderr_output_1.png" ]
import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns X = df_train.drop(columns=['ID', 'Name', 'InChI', 'InChIKey', 'SMILES', 'SD', 'Ocurrences', 'Group', 'co...
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128047328/cell_38
[ "text_html_output_1.png" ]
best = create_model('et') print(best)
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128047328/cell_75
[ "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import deepchem as dc import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubili...
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128047328/cell_3
[ "text_plain_output_1.png" ]
pip install pycaret
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128047328/cell_66
[ "application_vnd.jupyter.stderr_output_27.png", "application_vnd.jupyter.stderr_output_35.png", "application_vnd.jupyter.stderr_output_24.png", "application_vnd.jupyter.stderr_output_16.png", "application_vnd.jupyter.stderr_output_9.png", "application_vnd.jupyter.stderr_output_32.png", "application_vnd....
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import deepchem as dc import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubili...
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128047328/cell_17
[ "text_plain_output_1.png" ]
best_top3_models = compare_models(n_select=3)
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128047328/cell_35
[ "text_html_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv...
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128047328/cell_77
[ "text_html_output_2.png", "text_plain_output_1.png" ]
et = create_model('et')
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128047328/cell_43
[ "text_html_output_1.png" ]
best = create_model('et') bagged_ensemble_50estm = ensemble_model(best, n_estimators=50)
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128047328/cell_31
[ "text_html_output_2.png", "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import MolFromSmiles, Descriptors, MolFromSmarts import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv...
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128047328/cell_46
[ "text_html_output_2.png", "text_plain_output_1.png" ]
best_top3_models = compare_models(n_select=3) best_top3_models = compare_models(n_select=3) best_top3_models = compare_models(n_select=3) best_top3_models = compare_models(n_select=3) stacker = stack_models(best_top3_models)
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128047328/cell_14
[ "text_plain_output_5.png", "text_plain_output_4.png", "text_plain_output_6.png", "text_plain_output_3.png", "text_plain_output_7.png", "text_plain_output_2.png", "text_plain_output_1.png" ]
import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.columns
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128047328/cell_22
[ "text_html_output_2.png", "text_plain_output_1.png" ]
from rdkit import Chem from rdkit.Chem import AllChem import numpy as np import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train['SMILES'][:10] mol_lis...
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128047328/cell_10
[ "text_plain_output_5.png", "text_plain_output_9.png", "text_plain_output_4.png", "text_plain_output_13.png", "text_plain_output_14.png", "text_plain_output_10.png", "text_plain_output_6.png", "text_plain_output_3.png", "text_plain_output_7.png", "text_plain_output_8.png", "text_plain_output_2.pn...
import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape df_train.info()
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128047328/cell_37
[ "text_html_output_2.png", "text_plain_output_1.png" ]
best = create_model('et')
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128047328/cell_12
[ "text_plain_output_100.png", "text_plain_output_84.png", "text_plain_output_56.png", "text_plain_output_35.png", "text_plain_output_98.png", "text_plain_output_43.png", "text_plain_output_78.png", "text_plain_output_106.png", "text_plain_output_37.png", "text_plain_output_90.png", "text_plain_ou...
from rdkit import Chem import pandas as pd df_train = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/train.csv') df_test = pd.read_csv('/kaggle/input/aqueous-solubility-predictioin/test.csv') df_train.shape smiles_list = df_train['SMILES'][:10] mol_list = [] for smile in smiles_list: mol = Chem.MolF...
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