A compilation of benchmarks to validate the peleffy. Specifically, tests focus on studying the performance of the Open Force Field toolkit integration in PELE.
-
Notifications
You must be signed in to change notification settings - Fork 0
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
License
martimunicoy/peleffy-benchmarks
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).