4 projects
md-harmonize
Harmonize compounds and reactions across public metabolic databases.
ctfile
Parser for chemical table file (CTfile) a family of text-based chemical file formats (e.g. Molfile, SDfile) that describe molecules and chemical reactions.
moiety-modeling
Moiety Modeling Implementation
SAGA-optimize
Optimization method for solving boundary-value inverse problem based on a combined simulated annealing and genetic algorithm
