Scott Smith

Notes on performance: This one runs on my MacBook Air M1 laptop w/ 98k small molecules in about 6 hours. The memory footprint was, I believe 6GB? I to hold...

> @sakoht : any plans to take this up again? @greglandrum, @ilkersigirci Sorry I didn't see your messages way back last Summer. I meant to circle back and make the...

> @greglandrum how about refactoring this to use SciPy sparse array? It would work in both cases, since sparse arrays allocate memory only for non-zero elements. It would introduce the...

Note: I was able to get the test above to pass on 20.10.12 (on base image `ubuntu:20.04`)