thank you!! Indeed, we have been interacting in space very closely and doing our best to keep up and contribute where possible
I negotiated with my day job to work 2AM to 10AM so that I can work on this passion project in the afternoons, some grant funding would really help me focus on this more. There's quite a bit of interesting stuff not on the website in catalyst discovery and molecular dynamics. Contact me if you'd like to chat / demo.
In my ideal world I would work on this full time and totally open source it.