VTT, the Technical Research Center of Finland, is developing a self-driving computational lab. It combines high-throughput Molecular Dynamics simulations (MD) on the LUMI supercomputer, structure generators, and a generative Deep Learning model trained on LUMI for PHA polymers into a complete optimization loop. The self-driving computational lab is being developed at VTT’s ProperTune Soft Condensed […] The post Self-driving computational laboratory for high-throughput screening of biosynt...
