Table 2. Performance of Predicting Thermostability with Regression Tasks Using the HotProtein Dataseta.
| HP-S2C2 |
HP-S2C5 |
HP-S |
||||
|---|---|---|---|---|---|---|
| method | Spearman | Pearson | Spearman | Pearson | Spearman | Pearson |
| 3D GCN50 | 0.490 ± 0.019 | 0.469 ± 0.019 | 0.291 ± 0.053 | 0.301 ± 0.074 | N/A | N/A |
| TAPE51 | 0.432 ± 0.061 | 0.386 ± 0.065 | 0.367 ± 0.063 | 0.364 ± 0.047 | 0.504 ± 0.013 | 0.453 ± 0.031 |
| ESM-IF135 | 0.589 ± 0.040 | 0.547 ± 0.036 | 0.373 ± 0.036 | 0.377 ± 0.035 | N/A | N/A |
| ESM-1B29 | 0.890 ± 0.018 | 0.893 ± 0.024 | 0.712 ± 0.043 | 0.804 ± 0.023 | 0.807 ± 0.001 | 0.809 ± 0.001 |
| HotProtein15 | 0.906 ± 0.010 | 0.923 ± 0.012 | 0.754 ± 0.035 | 0.837 ± 0.019 | 0.823 ± 0.001 | 0.827 ± 0.003 |
| ProCeSa-ESM-1B | 0.930 ± 0.012 | 0.958 ± 0.013 | 0.856 ± 0.053 | 0.900 ± 0.039 | 0.852 ± 0 | 0.858 ± 0 |
| ProCeSa-ESM-1B (+Cont) | 0.933 ± 0.014 | 0.961 ± 0.015 | 0.861 ± 0.050 | 0.904 ± 0.045 | 0.855 ± 0.001 | 0.861 ± 0.001 |
| ProCeSa-ESM-C | 0.942 ± 0.001 | 0.969 ± 0.000 | 0.919 ± 0.000 | 0.949 ± 0.002 | 0.892 ± 0.000 | 0.897 ± 0.001 |
| ProCeSa-ESM-C (+Cont) | 0.943 ± 0.001 | 0.969 ± 0.000 | 0.921 ± 0.002 | 0.954 ± 0.005 | 0.894 ± 0.001 | 0.900 ± 0.001 |
Correlation coefficients of Spearman and Pearson are reported for all three datasets; 95(%) confidence intervals are computed via the 10-fold evaluation on HP-S2C2/C5 and 3 replicates on HP-S.