Table 1. Comparison of Improvements for the 156 Compound Subset.
CGenFF | OpenFF | |
---|---|---|
Corrections improving the results [%] | 62 | 63 |
Percentage of molecules with |ΔGcorr| > 0.5 kcal/mol [%] | 24 | 29 |
Percentage thereof improving results [%] | 68 | 67 |
CGenFF | OpenFF | |
---|---|---|
Corrections improving the results [%] | 62 | 63 |
Percentage of molecules with |ΔGcorr| > 0.5 kcal/mol [%] | 24 | 29 |
Percentage thereof improving results [%] | 68 | 67 |