simonduerr commited on
Commit
ac59745
1 Parent(s): e0d6717

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +6 -6
app.py CHANGED
@@ -541,7 +541,7 @@ with demo:
541
  "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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- 40,
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  18,
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  True
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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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- 40,
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  18,
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  True
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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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- 40,
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  18,
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  True
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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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- 40,
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  18,
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  True
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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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- 40,
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  18,
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  True
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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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- 40,
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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",
542
  "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",
553
  20,
554
+ 10,
555
  18,
556
  True
557
  ],
 
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  "",
562
  "examples/6o5u_ligand.sdf",
563
  20,
564
+ 10,
565
  18,
566
  True
567
  ],
 
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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",
572
  "examples/6o5u_ligand.sdf",
573
  20,
574
+ 10,
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  18,
576
  True
577
  ],
 
581
  "",
582
  "examples/6o5u_ligand.sdf",
583
  20,
584
+ 10,
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  18,
586
  True
587
  ],
 
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  "",
592
  "examples/6ahs_ligand.sdf",
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  20,
594
+ 10,
595
  18,
596
  True
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  ],