Hi Paolo,
Very clear explanation. Thank you!!
Best,
Leon
On Mon, Nov 18, 2019 at 12:27 PM Paolo Tosco
wrote:
> Hi Leon,
>
> MMFFOptimizeMoleculeConfs() by default will distribute minimization tasks
> across all available CPU cores as it is multi-threaded at the C++ level,
> while
Hi Leon,
MMFFOptimizeMoleculeConfs() by default will distribute minimization
tasks across all available CPU cores as it is multi-threaded at the C++
level, while ff.Minimize() will run single-threaded, unless you do the
distribution of individual minimization tasks yourself in the Python
2 matches
Mail list logo
