Table 1 Number of eDESIGNs, libDESIGNs, and selected libDESIGNs.
Number of cycles | Reaction scope | Minimum library size | Target median number atoms | Number of eDESIGNS | Number of libDesigns | Number of selected libDesigns |
|---|---|---|---|---|---|---|
2 | Production | 50,000 | 29 | 257,768 | 1207 | 274 |
2 | Both | 50,000 | 29 | 467,890 | 3373 | 642 |
3 | Production | 1,000,000 | 29 | 23,512,276 | 58,765 | 762 |
3 | Both | 1,000,000 | 29 | 64,454,231 | 266,552 | 2916 |
