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Overdue by 6 year(s)•Due by August 1, 2019•1/3 issues closedComplete and validate testing of all map processing methods (best volume, pharmacophore etc). This version will be used to process the output of the PDB-wide hotspot analysis, and could be advertised more widely to interested research partners. Aim to include virtual screening code, to be validated.
Overdue by 6 year(s)•Due by May 15, 2019•3/10 issues closedEnsure key functionality has been fully tested, and documentation has been completed. This is the version that will be used for PDB-wide calculation of hotspots (but not further processing). This version will be shared internally and to keen third parties. This will be a good time to make the repo public, and to upload to PyPI/readthedocs.
Overdue by 7 year(s)•Due by February 15, 2019•14/15 issues closed