D for project in computational chemistry

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On Sunday, 2 August 2015 at 16:25:18 UTC, Yura wrote:
> Dear D coders/developers,
>
> I am just thinking on one project in computational chemistry, 
> and it is sort of difficult for me to pick up the right 
> language this project to be written. The project is going to 
> deal with the generation of the molecular structures and will 
> resemble to some extent some bio-informatic stuff. Personally I 
> code in two languages - Python, and a little bit in C (just 
> started to learn this language).
>
> [...]

Did you try PyPy implementation of python? It's claimed to be 
faster than CPython.
If it's still not enough for you, then try D for sure. Write 
sample program that do calculations on real data, use gdc or ldc 
to get the optimized code and see if you're happy with results.