When I was starting my experimental research, I naively thought almost all the computation work has done, but there is still a lot to go.
For example, the material project on the linked video is around 2014 but most of the common molecules databases are still has not been mapped (like quinones). This is partly has to do with the openness of the research and using proprietary codes and packages in science.
The academic curriculum should hugely emphasis on open source packages to see any development.