The latest version of our preprint describing the Masala macromolecular modelling suite is available from bioRxiv (www.biorxiv.org/content/10.1...)! We have added information about the new RandomCostFunctionNetworkOptimizer, BFGSFunctionOptimizer, and DFPFunctionOptimizer.
biorxiv.org
The open-source Masala software suite: Facilitating rapid methods development for synthetic heteropolymer design
Although canonical protein design has benefited from machine learning methods trained on databases of protein sequences and structures, synthetic heteropolymer design still relies heavily on physics-b...