I'd like to wholeheartedly agree with Jonathan.

First, free software: I work in chemistry for a large multinational 
company, and Sage has been really useful for me.  I've used both 
Mathematica and Matlab there, but have dropped them - it is really hard to 
persuade managers to cough up the licence fees for on-going support unless 
you can point to a development project that will fail without them.  The 
fees are eye-watering - typically 20% of purchase cost.  Even if you do buy 
a copy and find the money for support, you can then only install it on one 
PC at work.  With Sage, I can access in multiple places, including my home 
PC for working at home.

Second, the sophistication of maths in Sage.  I dropped maths at 18, so I'm 
not doing anything sophisticated but the way I can do algebra, data 
manipulation and plotting in the same environment is great.  I'm dealing 
with simple equations and small data sets (tens of points/<5 variables).  
But I don't need to chop and change between programs like with 
Matlab/Mathematica.  The lack of sophistication needed by some of the folks 
here doesn't apply to me - or, I think, many chemists/biochemists.

Third, web-based.  Companies have large, paranoid IT departments so just 
downloading and installing stuff on a desktop can be impossible.  Getting 
licence terms agreed for commercial software can takes weeks, and then you 
have to get the install authorised and done by IT support (the only ones 
with admin rights).  Web is the way to go because it avoids those 
complications and makes it easy to share work and resource with colleagues 
- and you can probably get it squeezed onto a fast server which was created 
for some other application.

Finally, Python.  Learn Python and you are learning programming, unlike 
Mathematica or Matlab.  It is a decent language with consistent syntax and 
it makes automating tasks so easy (last week, I added leave-n-out 
cross-validation to a fitting program in 20 minutes; I mention it because 
I'd expected it to take half a day).  When you've learned Python in Sage, 
you can use it elsewhere!

The downsides?  Well, the Sage install is huge so that is off-putting, 
loading modules like matplotlib and R isn't intuitive and getting data in 
is a pain as others have commented.  A simple CSV upload utility would be 
nice...

Those are just my perspectives.  I agree completely with William that SMC 
is the way to go, because of the ease of access.  I think students may be 
an area to aim at because of a) Python b) Python c)  Python d) not having 
to install anything e) being able to do maths (differentiation etc) easily 
to understand the physical basis of many phenomena and then compare it with 
your results.  Symbolic maths was a revelation to me when I discovered it 
as a post-doc (!), and I think it still would be to many undergrads in 
chemistry/biochem/biology.  I'd love to have the time to put together some 
in interactive worksheets to go with textbooks, as some of the course 
tutors here have.

As also noted, the commercial Ma's do offer very very cheap subscriptions 
to students so I think that's less of a consideration.

Peter.

 

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