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Runtime error
Runtime error
Update app.py
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app.py
CHANGED
@@ -17,6 +17,16 @@ atom_mapping = {
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"F": 3,
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3: "F",
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}
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NUM_ATOMS = 9 # Maximum number of atoms
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ATOM_DIM = 4 + 1 # Number of atom types
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BOND_DIM = 4 + 1 # Number of bond types
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"F": 3,
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3: "F",
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}
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bond_mapping = {
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"SINGLE": 0,
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0: Chem.BondType.SINGLE,
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"DOUBLE": 1,
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1: Chem.BondType.DOUBLE,
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"TRIPLE": 2,
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2: Chem.BondType.TRIPLE,
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"AROMATIC": 3,
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3: Chem.BondType.AROMATIC,
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}
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NUM_ATOMS = 9 # Maximum number of atoms
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ATOM_DIM = 4 + 1 # Number of atom types
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BOND_DIM = 4 + 1 # Number of bond types
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