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Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics
2018
Journal of Cheminformatics
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factorypattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The new
doi:10.1186/s13321-018-0278-7
pmid:29785513
pmcid:PMC5962482
fatcat:h7h6chnc6rhhdk4ynafoltmgcu