D for project in computational chemistry

Laeeth Isharc via Digitalmars-d digitalmars-d at puremagic.com
Wed Aug 5 23:56:09 PDT 2015


On Thursday, 6 August 2015 at 02:38:15 UTC, jmh530 wrote:
> On Wednesday, 5 August 2015 at 23:37:37 UTC, Laeeth Isharc 
> wrote:
>>
>> Dataframes aren't intellectually very exciting, but they are 
>> very useful for iterative data exploration and quick 
>> prototyping since all of that starts with getting the data in 
>> from somewhere in a standard format.
>>
>
> May not be intellectually exciting, but look at how popular 
> pandas is for python.

Yes - exactly my point.  I figured I needed to acknowledged this 
however, since smart people often work on what's stimulating 
rather than what's most useful  given the choice.  Having 
dataframes will open up more possibilities.  Via PyD and some  
extra glue, it shouldn't be hard to make D dataframes  easily 
convertible to pandas dataframes and back.  Thats perfect for the 
Ipython notebook because you then don't need to convert all your 
code at once, and you still have access to Python notebooks.



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