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
Hi,
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 as fa
