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