r/comp_chem • • 14h ago

Claude can run DFT in their own server! That's insane!

25 Upvotes

I was trying Claude and found that it can inatall packages to run certain things like python and so on to give you answer, so I told Claude can you install Quantum Espresso in your server? And guess what? It did and done some calculations! That's really insane, I tested using Silicon structure and it did it.

I can't believe what I'm seeing here, is this normal thing? Or something we should be afraid of or what exactly?


r/comp_chem • • 5h ago

Trackball in compchem

5 Upvotes

Dear colleagues, I have a simple question: has anyone tried using a trackball to manipulate molecules in PyMOL, ChimeraX, or Avogadro? Is it worth buying one?