A compilation of benchmarks to validate the peleffy. Specifically, tests focus on studying the performance of the Open Force Field toolkit integration in PELE.
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
A compilation of benchmarks to validate the peleffy. Specifically, tests focus on studying the performance of the Open Force Field toolkit integration in PELE.
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
MIT License