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Updated README for the new substructure search service
rajarshi committedFeb 3, 2009 -
Updated substruct service to accept GET or POST. If POST is specified…
rajarshi committedFeb 3, 2009 … then it accepts two form elements called query (a SMARTS pattern string) and target (a comma separate string of one or more SMILES). Return is a plain/text doc with N rows for N input SMILES, each row being true, false or fail if the pattern matched the SMILES, didn't match or failed to parse respectively
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Added substructure detection service
rajarshi committedFeb 3, 2009
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Updated README to note a dependency on OpenBabel
rajarshi committedJan 20, 2009
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Updated to use Python 2.5's ElementTree modules
rajarshi committedJan 17, 2009
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Updated code to load the proper model file
rajarshi committedJan 14, 2009 -
Added sol models to the repo, to go with the current code. Updated di…
rajarshi committedJan 14, 2009 …spatch to actually get the prediction
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Updated manifest with new model details
rajarshi committedJan 14, 2009 -
Revert "Updated to recognize the fact that the descriptor service req…
rajarshi committedJan 14, 2009 …uires base 64 encoded smiles" This reverts commit c7e6337.
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Updated to recognize the fact that the descriptor service requires ba…
rajarshi committedJan 14, 2009 …se 64 encoded smiles
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Cleaned up predict service code
rajarshi committedJan 13, 2009 -
Further simplicifications to the model doc class
rajarshi committedJan 13, 2009 -
Simplified model document class a little bit
rajarshi committedJan 13, 2009 -
rajarshi committed
Jan 13, 2009 -
Removed the predictors script. Added a dispath module that allows us …
rajarshi committedJan 13, 2009 …to get predictions from arbitrary models. Added example manifest file -allows us to serialize model details. It's the first version, so expect changes to manifast schema
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updated predict service to employ rpy2. Also added the start of a REA…
rajarshi committedJan 13, 2009 …DME describing the services
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Added a service get predictions from a previously built model
rajarshi committedJan 12, 2009
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Updated descriptor service to only take base64 encoded smiles, since …
rajarshi committedJan 11, 2009 …it simplified the code significantly. Looks a bit uglier though
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Updated a typo in the specification resources
rajarshi committedJan 7, 2009 -
Updated to provide a plain tetx listing of available descriptors if the
rajarshi committedJan 7, 2009 client specifically sets the Accept heder to just text/plain
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Updated to handle chiral SMILES (containing '/')
rajarshi committedJan 5, 2009
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Fixed a typo in variable namings
rajarshi committedJan 4, 2009 -
Got rid of json.py since we now use jsonlib
rajarshi committedJan 4, 2009 -
Fix ed a bug so that output is generated according to the first
rajarshi committedJan 4, 2009 matching content type request, rathr than carrying on through the loop
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Updated chemspace service to consider all supplied client content types.
rajarshi committedJan 4, 2009 Rather than just looking at the first content type, we loop over all supplied content types and take the first one that matches the supported types. This allows clients to suggest preferred types and if not supported get some other type of return page
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Removed the compiled Python file from the repo
rajarshi committedJan 4, 2009 -
Added author string and dependency information
rajarshi committedJan 4, 2009
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First commit of all the REST ws code
rajarshi committedJan 3, 2009