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crem DrrDom

38

209

bsd-3-clause

7

CReM: chemically reasonable mutations framework

chemical-space chemoinformatics

Created 2019-08-22

138 commits to master branch, last one a day ago

ChemPlot mcsorkun

31

116

bsd-3-clause

4

A python package for chemical space visualization.

chemical-space cheminformatics data-visualization dimensionality-reduction

Created 2021-01-25

374 commits to main branch, last one 4 months ago

iSIM mqcomplab

10

33

mit

1

Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real num...

sampling clustering similarity drug-design chemical-space cheminformatics similarity-search

Created 2023-11-16

55 commits to main branch, last one about a month ago