Reviews: Deep imitation learning for molecular inverse problems

The paper is clearly written and motivates the interesting application of finding molecular structures given a spectrum well. The structure of the ms could be improved, since there are some distracting jumps between method, experiments and related work. In particular, the evaluation (Sec 4) could be described in more detail and can be confusing at the first reading. For example, the threshold was only mentioned once before and it could be stated again, that it applies to the spectrum, not the geometry. Here, the paper could also benefit from giving an overview of the training and evaluation procedure, e.g. in a flow chart.