Hyper-Mol: Molecular Representation Learning via Fingerprint-Based Hypergraph

 

Algorithm 1: Hypergraph generation algorithm based on fingerprint substructures.

	Input:
	Output:
(1)
(2)	for do
(3)
(4)
(5)	if then
(6)
(7)	else
(8)
(9)	end
(10)	;/ Append a hyperlink between the i-th and j-th fingerprint substructures. /
(11)	end
(12)
(13)	return