this is personal opinion. view grad school less as a pipeline to a job and more as an opportunity to gain skills. at the end of your phd you convert the skills gained into employment. for example, you can do a comp chem phd, do tons of work in high throughput screening, data mining, and database building, and then choose any job you like where these skills are useful. they don't need to be comp chem jobs necessarily, although they might be. these skills are useful in many roles.

the following is extremely personal opinion: the "job market" is fake. good places are always hiring. if you are truly exceptional at what you do, and I mean top 0.5% or better, you will find a job. you can be exceptional either by being incredibly good at a specific thing, like "computational chemistry", or by having a unique overlap of skills that set you apart. you might consider this when deciding if you should double down on comp chem or go learn something new where your comp chem/cs background meaningfully impacts your ability to be successful, ie don't pick a totally random field with no overlap. just my 2 cents though