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Remove `matplotlib.use("agg")` workarounds.
Browse files
examples/Cheminformatics/chem_utils.py
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@@ -17,9 +17,6 @@ from rdkit.rdBase import BlockLogs
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import pandas as pd
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from rdkit.Chem.rdMMPA import FragmentMol
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from rdkit.Chem.rdRGroupDecomposition import RGroupDecompose
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import matplotlib
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matplotlib.use("agg")
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def smi2mol_with_errors(smi: str) -> Tuple[Mol, str]:
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import pandas as pd
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from rdkit.Chem.rdMMPA import FragmentMol
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from rdkit.Chem.rdRGroupDecomposition import RGroupDecompose
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def smi2mol_with_errors(smi: str) -> Tuple[Mol, str]:
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examples/Cheminformatics/cheminfo_tools.py
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@@ -19,9 +19,6 @@ from sklearn.metrics import r2_score, mean_absolute_error, mean_squared_error
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from sklearn.model_selection import train_test_split
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import numpy as np
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from rdkit.Chem import MACCSkeys
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import matplotlib
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matplotlib.use("agg")
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@op("LynxKite Graph Analytics", "View mol filter", view="matplotlib", slow=True)
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from sklearn.model_selection import train_test_split
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import numpy as np
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from rdkit.Chem import MACCSkeys
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@op("LynxKite Graph Analytics", "View mol filter", view="matplotlib", slow=True)
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examples/Cheminformatics/rcsb_api.py
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@@ -1,4 +1,3 @@
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import matplotlib
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import pandas as pd
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import matplotlib.pyplot as plt
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import pypdb
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@@ -10,8 +9,6 @@ import os
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import numpy as np
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from Bio.PDB import PDBList, PDBParser, Superimposer
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matplotlib.use("agg")
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def calc_rmsd(A, B):
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"""
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import pandas as pd
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import matplotlib.pyplot as plt
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import pypdb
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import numpy as np
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from Bio.PDB import PDBList, PDBParser, Superimposer
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def calc_rmsd(A, B):
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"""
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