François Bérenger
François Bérenger
What is output by ENC.get_distance(map4_a, map4_a)?
please send a PR with the fix if you have one
this is quite important for usability
also requires a --no-deploy option to disable the feature
We cannot much self deploy if the executable is not portable. So this is related to https://github.com/UnixJunkie/daft/issues/73.
Visualizing the different resulting MST might be insightful.
related to https://github.com/UnixJunkie/molenc/issues/41
related to L_1 and "fractional distance metrics" related to https://github.com/UnixJunkie/molenc/issues/82
this would be best optimized on a regression dataset
some regression benchmark tells me it does NOT outperform using a 2048b ECFP4...