D for project in computational chemistry

Laeeth Isharc via Digitalmars-d digitalmars-d at puremagic.com
Wed Aug 5 23:57:59 PDT 2015


On Thursday, 6 August 2015 at 06:56:11 UTC, Laeeth Isharc wrote:
> 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.

I mean access to Python libraries.




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