That was my interest when I started my career, but didn’t do much on it.

Bio-informatics deals with the stuff you mentioned in-silico. There’re a whole bunch of libraries for many different languages, but I’ve not come across any specific language for bio-informatics.

You might find https://youtu.be/8X69_42Mj-g interesting, they developed a DSL in common lisp to generate C++ code using LLVM.