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We found that the runtime of the algorithm is influenced by the following factors: the similarity of the start/target molecule pair; the settings of parameters (primarily similarity coefficient and molecular fingerprint); and the hardware on which the calculation is run.
In principle, this calculation is run for every possible pair of concepts, A and B. However, if there are predicates p such that similarity(A,B,p) is zero but similarity seed1,seed2,p) is non-zero, the calculation does not need to be run because it will be false for this A,B pair.
Similar(58)
In both cases the calculation is running 1011 iterations on 4 physical nodes with each 8 CPU cores.
Fast reactor design optimization calculation was run by using FI-ITB-CHI software package.
The calculation was run twice because extensive porosity information is not available and this allows for a comparison of both sets of parameters.
The calculation was run in vacuum without any solvent or periodic box.
A power calculation was run in the General Linear Model and a power of 0.8 at the 0.05 significance level was considered to be adequate.
Each calculation was run on all 2000 sampled genealogies and from the distribution of results, means and 95% credible intervals were obtained.
The calculation was run for 1,000,000 generations, with a sampling frequency of 10 generations and burn-in of the first 25,000 trees.
All the above analyses, together with standard and molecular indexes calculation, were run with the software package Arlequin ver 2.000 [ 79].
23 Power calculations were run with a sample size calculator for cluster randomised trials.
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CEO of Professional Science Editing for Scientists @ prosciediting.com