Configuration Set
SPICE Solvated Amino Acids Single Points Dataset v1.1__CS_asqwkmyy10ug_0
| Name | SPICE Solvated Amino Acids Single Points Dataset v1.1 |
|---|---|
| Extended ID | SPICE Solvated Amino Acids Single Points Dataset v1.1__CS_asqwkmyy10ug_0 |
| Description | Configurations in the SPICE dataset from Solvated Amino Acids Single Points Dataset v1.1 |
| Elements |
C (8.77%) H (61.4%) N (3.51%) O (25.73%) S (0.58%) |
| Number of Configurations | 100 |
| Number of Atoms | 8,550 |
| Configurations | |
| Datasets |
DS_kg0dv12aiq97_0 |
| ColabFit ID | CS_asqwkmyy10ug_0 |
| Files | colabfitspec.json |
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