- 13 Sep, 2016 1 commit
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Jorge Navarro Muñoz authored
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- 23 May, 2016 6 commits
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
Discarded results from ChemSpider that were 'Found by splitting query string into separate tokens' as it was giving incorrect results
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
A dictionary of bgcs->[list of compounds] now stores the corrected name of each compound. Not used currently but could be in the future
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
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- 02 Mar, 2016 1 commit
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Jorge Navarro Muñoz authored
If you don't have RDKit installed, you can comment the appropriate lines. Fixed some typos.
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- 19 Feb, 2016 1 commit
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Jorge Navarro Muñoz authored
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- 15 Feb, 2016 3 commits
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
requirements)
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- 12 Feb, 2016 3 commits
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
Complete rewrite. Joined code from another, separate sript which queried databases by compound name. (Hopefully) much more useful output, including compound name for each BGC This is reflected in the README
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- 10 Feb, 2016 4 commits
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
Bug: if the Security Token is incorrect, the program aborts (haven't been able to catch the exception)
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
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- 09 Feb, 2016 1 commit
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Jorge Navarro Muñoz authored
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- 02 Feb, 2016 1 commit
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Jorge Navarro Muñoz authored
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- 01 Feb, 2016 3 commits
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
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Jorge Navarro Muñoz authored
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