Give the option to read mappings from file & maybe also the connections table

OpenFreeEnergy / openfe-benchmarks

MIT License

8 stars 1 forks source link

Give the option to read mappings from file & maybe also the connections table #4

Open IAlibay opened 2 years ago

IAlibay commented 2 years ago

Currently we just rely on the defined connections list in each system class, we should allow for pre-defined set of edges & mappings (maybe just load from graphml?), this way if lomap changes in the future we don't accidentally change our benchmark set.