mit/diffdock

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Predicts the 3D structure of how a molecule interacts with a protein.

Docking
Drug Discovery
Drug Discovery
API Reference

Input

1
11
21
31
41
51
61
71
81
91
100
100
20
22
24
26
28
30
32
34
36
38
40
42
44
46
48
50
52
54
56
58
60
62
64
66
68
70
72
74
76
78
80
82
84
86
88
90
92
94
96
98
100

Output