Hugging Face's logo

Datasets:
InstaDeepAI
/
mlipaudit-results

Dataset card Files
xet
 Community
6
mlipaudit-results
File size: 974 Bytes
85ca387
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
{
  "score": 0.634625,
  "structure_results": [
    {
      "structure_name": "1JRS_Leupeptin",
      "description": "Leupeptin inhibitor (71 atoms)",
      "num_frames": 1000,
      "num_steps": 100000,
      "exploded_frame": -1,
      "drift_frame": -1,
      "score": 1.0
    },
    {
      "structure_name": "Chignolin",
      "description": "Chignolin peptide (138 atoms)",
      "num_frames": 1000,
      "num_steps": 100000,
      "exploded_frame": -1,
      "drift_frame": 1,
      "score": 0.5005
    },
    {
      "structure_name": "RNA fragment",
      "description": "RNA fragment (168 atoms)",
      "num_frames": 1000,
      "num_steps": 100000,
      "exploded_frame": -1,
      "drift_frame": 71,
      "score": 0.5355
    },
    {
      "structure_name": "5KGZ",
      "description": "Protein structure (634 atoms)",
      "num_frames": 1000,
      "num_steps": 100000,
      "exploded_frame": -1,
      "drift_frame": 5,
      "score": 0.5025
    }
  ]
}