Hiya,
On Thu, Jun 20, 2013 at 4:53 AM, Maciek Wójcikowski
wrote:
> Sure, the more the better :) I mentioned simplex since Tripos Sybyl is using
> it, and my colleague and I use it for some purposes.
>
> Did you mean this? https://github.com/dlonie/OpenBabel-BFGS/ It seams that
> the implementatio
Sure, the more the better :) I mentioned simplex since Tripos Sybyl is
using it, and my colleague and I use it for some purposes.
Did you mean this? https://github.com/dlonie/OpenBabel-BFGS/ It seams that
the implementation is more or less done. I'll test that and see if it works.
Pozdrawiam
> I was just thinking about improving current implementation of minimization,
> and came up to conclusion that Simplex Minimization would be of great use for
> us (aside of Steepest Descent and Conjungate Gradient). I found small library
> released under GPL (unfortunatelly 3, so that's an issue
