richlewis42 / scikit-chem

Completed

Push — master ( 360284...546a0f )

by Rich

created 2016-09-01 14:38 UTC

Changes

	44 issues (1 major, 25 minor, 18 informational) were introduced. 5 issues were fixed.
	54 added classes/operations
		A	n_radical_electrons() added
		A	n_hba() added
		A	fract_rotatable_bonds() added
		A	sum_van_der_waals_volume() added
		A	n_valence_electrons() added
		A	n_rotatable_bonds() added
		A	mean_electronegativity() added
		A	n_hetero() added
		A	average_molecular_weight() added
		A	fract_atom() added
B	↗	A	n_atoms() improved
view all

8.69

▲ + 0.03

Test Coverage

64%

▶ ±0%

Head	Rich Lewis 2016-09-01 15:10 GMT+0100 added constitutional descriptors
⋮	1 more commit
Base	Rich Lewis 2016-08-30 21:24 UTC started the descriptors package with the caching fundamentals and autocorrelation modules