This e-IDR is to disclose a concept that we recently developed and tasked in FY20. The team will apply Machine Learning to guide cell design and predict the performance of rechargeable Li metal batteries. Ideally, the user only needs to input the requirements e.g., dimension, power/energy ratio and lifespan etc of the batteries they need for specific applications. The software can output the Li metal cell design detailed into individual electrolyte, electrolyte content and so on for the client to fabricate the cells. In addition, cycle life of as-designed Li metal cells can be precisely predicted by this software which also considers cost and safety parameter for various cells.