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simonduerr
commited on
Commit
•
ac59745
1
Parent(s):
e0d6717
Update app.py
Browse files
app.py
CHANGED
@@ -541,7 +541,7 @@ with demo:
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"COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O",
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"examples/6w70_ligand.sdf",
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20,
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-
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18,
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True
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],
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@@ -551,7 +551,7 @@ with demo:
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"",
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"examples/6moa_ligand.sdf",
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20,
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-
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18,
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True
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],
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@@ -561,7 +561,7 @@ with demo:
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"",
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"examples/6o5u_ligand.sdf",
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20,
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-
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18,
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True
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],
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@@ -571,7 +571,7 @@ with demo:
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"[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)[NH3+])O)[NH3+])[C@@H]([C@H]([C@@H]1O)O)O",
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"examples/6o5u_ligand.sdf",
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20,
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-
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18,
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True
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],
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@@ -581,7 +581,7 @@ with demo:
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"",
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"examples/6o5u_ligand.sdf",
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20,
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-
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18,
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True
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],
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@@ -591,7 +591,7 @@ with demo:
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"",
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"examples/6ahs_ligand.sdf",
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20,
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-
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18,
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True
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],
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"COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O",
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"examples/6w70_ligand.sdf",
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20,
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+
10,
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18,
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True
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],
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"",
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"examples/6moa_ligand.sdf",
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20,
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10,
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18,
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True
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],
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"",
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"examples/6o5u_ligand.sdf",
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20,
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+
10,
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18,
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True
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],
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"[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)[NH3+])O)[NH3+])[C@@H]([C@H]([C@@H]1O)O)O",
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"examples/6o5u_ligand.sdf",
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20,
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+
10,
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18,
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True
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],
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"",
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"examples/6o5u_ligand.sdf",
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20,
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+
10,
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18,
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True
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],
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"",
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"examples/6ahs_ligand.sdf",
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20,
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+
10,
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18,
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True
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],
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