Add batch 10
Browse files- .gitattributes +14 -0
- 5scl__1__1.A__1.I/ligand.sdf +46 -0
- 5scl__1__1.A__1.I/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.A__1.I/receptor_holo_prot_system.cif +0 -0
- 5scl__1__1.A__1.K/ligand.sdf +52 -0
- 5scl__1__1.A__1.K/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.A__1.K/receptor_holo_prot_system.cif +0 -0
- 5scl__1__1.B__1.N/ligand.sdf +46 -0
- 5scl__1__1.B__1.N/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.B__1.N/receptor_holo_prot_system.cif +0 -0
- 5scl__1__1.B__1.P/ligand.sdf +52 -0
- 5scl__1__1.B__1.P/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.B__1.P/receptor_holo_prot_system.cif +0 -0
- 5scl__1__1.C__1.S/ligand.sdf +46 -0
- 5scl__1__1.C__1.S/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.C__1.S/receptor_holo_prot_system.cif +0 -0
- 5scl__1__1.C__1.U/ligand.sdf +52 -0
- 5scl__1__1.C__1.U/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.C__1.U/receptor_holo_prot_system.cif +0 -0
- 5scl__1__1.D__1.X/ligand.sdf +46 -0
- 5scl__1__1.D__1.X/receptor_holo_prot_msa.a3m +3 -0
- 5scl__1__1.D__1.X/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.E__1.BA/ligand.sdf +46 -0
- 5scl__2__1.E__1.BA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.E__1.BA/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.E__1.DA/ligand.sdf +52 -0
- 5scl__2__1.E__1.DA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.E__1.DA/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.F__1.GA/ligand.sdf +46 -0
- 5scl__2__1.F__1.GA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.F__1.GA/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.F__1.IA/ligand.sdf +52 -0
- 5scl__2__1.F__1.IA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.F__1.IA/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.G__1.LA/ligand.sdf +46 -0
- 5scl__2__1.G__1.LA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.G__1.LA/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.G__1.NA/ligand.sdf +52 -0
- 5scl__2__1.G__1.NA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.G__1.NA/receptor_holo_prot_system.cif +0 -0
- 5scl__2__1.H__1.QA/ligand.sdf +46 -0
- 5scl__2__1.H__1.QA/receptor_holo_prot_msa.a3m +3 -0
- 5scl__2__1.H__1.QA/receptor_holo_prot_system.cif +0 -0
- 5sdc__1__1.A__1.C/ligand.sdf +42 -0
- 5sdc__1__1.A__1.C/receptor_holo_prot_msa.a3m +0 -0
- 5sdc__1__1.A__1.C/receptor_holo_prot_system.cif +0 -0
- 5sdc__1__1.B__1.F/ligand.sdf +42 -0
- 5sdc__1__1.B__1.F/receptor_holo_prot_msa.a3m +0 -0
- 5sdc__1__1.B__1.F/receptor_holo_prot_system.cif +0 -0
.gitattributes
CHANGED
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5sck__2__1.F__1.FA/receptor_holo_prot_msa.a3m filter=lfs diff=lfs merge=lfs -text
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5scl__1__1.A__1.I/receptor_holo_prot_msa.a3m
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5scl__1__1.A__1.I/receptor_holo_prot_system.cif
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5scl__1__1.A__1.K/ligand.sdf
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5scl__1__1.A__1.K/receptor_holo_prot_msa.a3m
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5scl__1__1.B__1.N/ligand.sdf
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M END
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| 46 |
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$$$$
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5scl__1__1.B__1.P/receptor_holo_prot_msa.a3m
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5scl__1__1.C__1.U/ligand.sdf
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5scl__1__1.C__1.U/receptor_holo_prot_msa.a3m
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5scl__1__1.D__1.X/ligand.sdf
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5scl__1__1.D__1.X/receptor_holo_prot_msa.a3m
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5scl__2__1.E__1.BA/receptor_holo_prot_msa.a3m
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5scl__2__1.E__1.DA/receptor_holo_prot_msa.a3m
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5scl__2__1.F__1.GA/ligand.sdf
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5scl__2__1.F__1.GA/receptor_holo_prot_msa.a3m
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$$$$
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5scl__2__1.F__1.IA/receptor_holo_prot_msa.a3m
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5scl__2__1.G__1.LA/receptor_holo_prot_msa.a3m
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5scl__2__1.G__1.NA/ligand.sdf
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$$$$
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5scl__2__1.G__1.NA/receptor_holo_prot_msa.a3m
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5scl__2__1.H__1.QA/ligand.sdf
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M END
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$$$$
|
5scl__2__1.H__1.QA/receptor_holo_prot_msa.a3m
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5sdc__1__1.A__1.C/ligand.sdf
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M END
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$$$$
|
5sdc__1__1.A__1.C/receptor_holo_prot_msa.a3m
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The diff for this file is too large to render.
See raw diff
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5sdc__1__1.A__1.C/receptor_holo_prot_system.cif
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The diff for this file is too large to render.
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5sdc__1__1.B__1.F/ligand.sdf
ADDED
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|
| 1 |
+
1.F
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
17 19 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
7.2480 14.9070 -2.7780 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
7.8930 14.8840 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
5.8450 15.3370 -2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
5.6380 16.5190 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
7.3830 13.6190 -3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
8.2230 13.9250 -4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
8.8500 14.6250 -6.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
6.3280 14.9340 -7.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
8.7290 15.0620 -8.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
6.7080 18.4360 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
7.7260 14.3540 -5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
6.4480 14.5100 -6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
7.4570 15.2140 -8.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
6.9330 17.2420 -1.4190 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 19 |
+
7.9560 16.2730 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
9.5860 14.0020 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
9.9680 14.3970 -5.9830 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
1 2 1 0
|
| 23 |
+
1 3 1 0
|
| 24 |
+
1 5 1 0
|
| 25 |
+
2 15 1 0
|
| 26 |
+
3 4 1 0
|
| 27 |
+
4 14 1 0
|
| 28 |
+
5 6 1 0
|
| 29 |
+
6 11 1 0
|
| 30 |
+
6 16 2 0
|
| 31 |
+
7 9 1 0
|
| 32 |
+
7 11 2 0
|
| 33 |
+
7 17 1 0
|
| 34 |
+
8 12 2 0
|
| 35 |
+
8 13 1 0
|
| 36 |
+
9 13 2 0
|
| 37 |
+
14 10 1 1
|
| 38 |
+
11 12 1 0
|
| 39 |
+
14 15 1 0
|
| 40 |
+
16 17 1 0
|
| 41 |
+
M END
|
| 42 |
+
$$$$
|
5sdc__1__1.B__1.F/receptor_holo_prot_msa.a3m
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
5sdc__1__1.B__1.F/receptor_holo_prot_system.cif
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|