From @aloctavodia comments in #76 :
It would be nice to implement two modifications.
- Remove openbabel dependency
- Compute the areas with a faster algorithm.
If the SASA algorithm turns to be too slow for your current project. Something to try before going into the point 2 is to use numba to accelerate the get_sasa() function, not sure just decorating that function will work (but that is easy to try), but split that function into subfunctions and "numbify" those subfunctions may provide some speed up.
From @aloctavodia comments in #76 :
It would be nice to implement two modifications.
If the SASA algorithm turns to be too slow for your current project. Something to try before going into the point 2 is to use numba to accelerate the
get_sasa()function, not sure just decorating that function will work (but that is easy to try), but split that function into subfunctions and "numbify" those subfunctions may provide some speed up.