Explore Models Blueprints GPUs

Terms of Use

|

Privacy Policy

|

Manage My Privacy

|

Contact

Explore Models Blueprints GPUs

|

|

|

mit

diffdock

Run Anywhere

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

bionemo chemistry docking nim drug discovery

Get API Key

API Reference

Input

Molecule*

Upload a file...

File Types:

.sdf.mol2

Target Protein*

Upload a file...

File Types:

.pdb

Generated Poses

1

11

21

31

40

Diffusion Steps

100

Diffusion Time Divisions

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

GOVERNING TERMS: Your use of this API is governed by the NVIDIA API Trial Service Terms of Use; and the use of this model is governed by the NVIDIA AI Foundation Models Community License and MIT License.

mit

diffdock

Input

Output