#1 Fri Mar 11, 2016 9:31 pm
Registered: Mar 2016
Chemical Semantics, Inc. (CSI) is applying the semantic web techniques to computational chemistry.
We have built a portal for the demonstration purpose, which is demo386.chemsem.com.
After the registration, you are able to publish your output files from many quantum chemistry packages, including QChem, on our portal. Now we use cclib (http://cclib.github.io) to parse the output files. So our portal supports all quantum chemistry packages cclib is currently parsing.
Here is the procedure to upload a output file on our portal:
1) click "add publication" button.
2) Fill out the information about title, abstract, category,etc.
3) click "Save changes", and a "Data sets" tab appears.
4) click "Browse" button, select the output file you want to upload.
5) select "Add output file" option in the dropdown box (not "upload only").
6) click "Upload file".
Any comments and suggestions are welcome.