Table 1.
Comparison between LEAP and FREAD for the FREAD dataset.
| Loop Length | The average (median) of 30 loops
|
||
|---|---|---|---|
| FREADa | The average of 10 predictions by LEAP | The lowest-energy prediction of 10 by LEAP | |
| 4 | 1.29 | 0.40 (0.23) | 0.39 (0.23) |
| 5 | 2.19 | 0.43 (0.30) | 0.40 (0.27) |
| 6 | 1.79 | 0.55 (0.37) | 0.49 (0.33) |
| 7 | 2.53 | 0.79 (0.45) | 0.69 (0.38) |
| 8 | 2.88 | 0.98 (0.74) | 0.68 (0.56) |
| 9 | 3.08 | 1.20 (0.89) | 0.93 (0.69) |
| 10 | 4.25 | 1.76 (1.07) | 1.44 (0.84) |
| 11 | 4.55 | 2.56 (1.42) | 2.24 (1.08) |
| 12 | 3.99 | 3.68 (2.92) | 3.14 (2.52) |
| 13 | 5.54 | 3.37 (3.12) | 2.91 (2.62) |
| 14 | 6.07 | 5.10 (4.31) | 4.44 (3.70) |
| 15 | 6.41 | 5.16 (4.30) | 4.58 (4.16) |
| 16 | 7.50 | 5.33 (4.68) | 4.90 (4.43) |
| 17 | 7.84 | 6.84 (6.27) | 5.66 (5.50) |
| 18 | 5.48 | 7.60 (6.86) | 6.53 (6.30) |
| 19 | 7.67 | 7.04 (6.52) | 5.87 (4.64) |
| 20 | 7.64 | 9.01 (8.53) | 8.21 (7.82) |
The results were obtained from ref.39