On Oct 19,
 2011, at 03:41 PM, "Jaroslav Kalinovski kofeinu:+:
http://hotmail.com"
 target="_blank">hotmail.com" <owner-chemistry- -
ccl.net> wrote:
 
 Sent to CCL by: Jaroslav Kalinovski [kofeinu-$-
hotmail.com]
 
 Hi,
 I really do not understand... for me, the source code I am writing is like an
 equipment in the laboratory. Do you really need someone else equipment to make a
 proper review? Maybe in this case it is easy to send the code but rules are the
 same. Do you ask for particle accelerator when reviewing paper about experiment
 with one?
  
 If someone is having troubles with reproducing my results, one always can write
 to me and simply ask for the code but I do not feel I HAVE TO publish code
 explicitly. In the end it is my property, I can describe algorithm, points of
 theory but why should I give the code? No one is watching at the hands of
 experimentalists while reviewing their papers.
 
 I think people are forgetting that code is just a tool not a research
 result.
 
 It is true that relying only on reputation is not the perfect way but it works
 for other disciplines. In the end we always have to put on some trust in
 authors.
 That is all for me. 
  
 Best regards,
 J.Kalinowski
 And
 that's exactly it, you don't have to publish your source code, but you
 should be prepared to let someone look over it if they ask.
 Also you don't have to let them use it, you can protect that by
 copyright, but people should be able to look over it and satisfy themselves that
 it should do what you say it will.  The right to look should be free, the
 right to run or license the code can be whatever you think the market can
 bear.
 
The call for openness is in the context of devising
 code to analyze large data sets in the context of climate change. In this
 context we should not be comfortable with a researcher telling us that they
 wrote a program to extract the key data, who then asserts that they wont let us
 see how it works.
 
 I don't expect a reviewer to check the code
 implementation of every computational development that apears, this would be a
 very onerous task, and would not be realistic. However if a problem arises where
 a number of programs claim to be calculating the same thing, but get different
 results, then I think the scientific community would be best served if they knew
 that the source code was available for their perusal.
 
There may be a case for certain restrictions to apply,
 but these restrictions and limitations should be clearly flagged in any
 resulting scientific papers.  A very hypothetical example of this might be
 where a researcher was working for a pharmaceutical company which had developed
 proprietary software for developing leads in drug discovery. If the researcher
 wished to pubish details of research in which a number of potential drug
 candidates had been developed by applying the software to orphan drug discovery,
 without giving details of precisely how they had been developed then it might be
 appropriate to flag this and publish the leads as a matter of public
 interest.
 
One final point, open access to your code does allow
 ones rivals to see what and how you have written it, but it also allows you to
 examine their code and identify cases where they have stolen your IP.
 
All the best
Laurence
 Cuffe
 ---
 Laboratory of Physical Chemistry
 University of Helsinki
 ---
 Logic is a systematic method of coming to the wrong conclusion with
 confidence.
  
  
 ----------------------------------------
 > From: owner-chemistry- -
ccl.net
 > To: kofeinu- -
hotmail.com
 > Subject: CCL:G: Science code manifesto
 > Date: Wed, 19 Oct 2011 07:50:08 -0700
 >
 >
 > Sent to CCL by: George Fitzgerald [George.Fitzgerald[A]
accelrys.com]
 > As a member of a company that makes money from selling software, I probably
 have a different outlook on this than most CCLers. But I have one very practical
 question: as a reviewer, do you really have the time and expertise to review
 1000s of lines of source code? I find that properly reviewing a paper already
 takes several hours. From experience I know that reviewing somebody's source
 code can take days.
 >
 > Can anybody give me an example of what you'd even look for in the
 source code? I'm thinking back to, for example, Peter Gill's
 'PRISM' method for Gaussian integration, or Benny Johnson and DFT
 analytic 2nd derivatives. Are you claiming that those papers shouldn’t
 have been published without the reviewer reviewing the code?
 >
 > -george>
 >
 
 
 
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