Hi! I'm doing vibe docking simulations for the cancer I'm interested in (JAK2V617F+ MPNs). The results have been fascinating. I use 1) claude cowork 2) openclaw w/ GPT 5.3.
It took me ~1 week to screen about 1200 molecules (with 4 moleculer targets) in AutoDock Vina . I feel I can test ~3k molecules by being smarter in my search.
Hi! I'm doing vibe docking simulations for the cancer I'm interested in (JAK2V617F+ MPNs). The results have been fascinating. I use 1) claude cowork 2) openclaw w/ GPT 5.3.
That's awesome. But I imagine you are running on a small number of molecules, as you would expect running in a individual workstation?
It took me ~1 week to screen about 1200 molecules (with 4 moleculer targets) in AutoDock Vina . I feel I can test ~3k molecules by being smarter in my search.