Sent to CCL by: James Buchwald [buchwj-.-rpi.edu]
I think one of the challenges for such an approach will be long-term
availability of the ESI data. The current model of "publisher hosts
the ESI" has the advantage that the publisher is responsible for
ensuring that the data continues to be available for as long as the
article is available. Moving to an external host could (would?) lead
to situations where the site goes out of business/suffers
irrecoverable data loss/etc and the ESI is potentially lost (and then
you get broken links in the original paper).
Obviously this is less of a potential issue (in the short term) for
large sites such as GitHub, but there is still a question of how such
methods will persist in the long (30+ years) term. I think there is a
need for publishers to develop their own new ESI storage and retrieval
mechanisms for large data sets, etc., such that the publisher can
ensure the long-term availability of the data on the same timeframe as
the manuscript itself.
Best,
James
On 04/24/2015 09:51 AM, Brian Skinn bskinn(_)alum.mit.edu wrote:
CCL-ers,
Provision of sufficient electronic supplementary information for
published articles (molecular geometries, etc.) appears to be an
ongoing challenge for computational chemists. All too often there are
interesting results worth repetition and/or extension, but which are
challenging to perform because the source computational files are
unavailable. Further, the current journal-site-based ESI publication
model is quite confining, as (I assume?) there are size limitations on
what publishers wish to host on their servers.
So, an idea for discussion: What about posting ESI on third-party
services such as Dropbox, Github, etc? ESI is meant to be public
information, so security needs are minimal. Such services are well
equipped to handle the file transfer loads that ESI would likely
represent, and storage costs would either be nil, or comparatively
small. Further, it would be possible to deposit binary files
(wavefunction information, electron density files, etc.) that might be
of significant use to outside researchers wishing to analyze, repeat
and/or extend a given work.
Pros? Cons? I'm curious what you all think.
Best regards,
Brian
--
James R. Buchwald
Graduate Student, Dept. of Chemistry and Chemical Biology
Rensselaer Polytechnic Institute
Graduate Research Assistant, Dinolfo Laboratory
Teaching Assistant, Experimental Chemistry IV> To recover the email
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