richlewis42 / scikit-chem

Completed

Push — master ( e06060...97f98d )

by Rich

created 2016-06-28 09:54 UTC

Changes

	39 issues (7 major, 14 minor, 18 informational) were introduced. 11 issues were fixed.
	18 added classes/operations
		A	MassFilter added
		A	OrganicFilter added
		A	AtomNumberFilter added
		A	ElementFilter added
		A	SMARTSFilter added
		A	PAINSFilter added
		A	OrganicFilter.__init__() added
		A	MassFilter.__init__() added
		A	ElementFilter.func() added
		A	ElementFilter.__init__() added
A	↘	B	mass() got worse
view all

9.09

▲ + 0.04

Head	Rich Lewis 2016-06-28 10:54 GMT+0100 fixed atom descriptor, added error checking to physicochem and added default accessor
⋮	1 more commit
Base	Rich Lewis 2016-06-15 11:28 UTC fixed bug in base fingerprinter