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Commits on Jan 31, 2017

• Partial support for reading CXSMILES (#1237)

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  greglandrum

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Commits on Jan 27, 2017

• initial pass at dative directions (#1254)

  

  greglandrum

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• Changes to cookbook.md (#1278)

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  gedeck

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• fix a problem with testing in conda builds

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Commits on Jan 25, 2017

• Address Issue #1214 (#1275)

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  gedeck

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• rdkit.Chem.Lipinski and rdkit.Chem.GraphDescriptors (#1268)

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• Delete UnitTestArom.py

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  greglandrum

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• Gedeck rdkit chem unit test surf (#1267)

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• Rename file UnitTestDocTests in rdkitChem (#1263)

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Commits on Jan 22, 2017

• Fixes #1271 (#1272)

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  greglandrum

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• Fix/github1262 (#1265)

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  greglandrum

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Commits on Jan 20, 2017

• Fixes #1266 (#1270)

  

  greglandrum

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Commits on Jan 16, 2017

• Review code in rdkit.Chem.Suppliers (#1258)

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• Add python wraps (#1259)

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Commits on Jan 15, 2017

• Review rdkit.Chem.pharm#D modules (#1201)

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• Move execution of DocTests in rdkit.Chem into a UnitTest file (#1256)

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• Review tests in rdkit.Chem.SimpleEnum (#1248)

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• Review of rdkit.Chem.MolKey (#1247)

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Commits on Jan 9, 2017

• Fixes #1251 (#1252)

  

  greglandrum

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Commits on Jan 7, 2017

• Rename test file and cleanup (#1246)

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• Make Pandastools modifications to generic RDkit functionality more obvious (#1245)

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• Adding a few tests for coverage utils (#1244)

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Commits on Jan 4, 2017

• Improved test coverage for rdkit.Chem.Fingerprints (#1243)

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• - Optimization of UFF and MMFF forcefields (#1218)

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  ptosco

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Commits on Jan 3, 2017

• - fixed a test failure on Windows due to CR+LF encoding (#1242)

  

  ptosco

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  greglandrum

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• - fixed build failure on Windows due to missing link to library (#1241)

  

  ptosco

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  greglandrum

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• make the version checking more robust (#1239)

  greglandrum

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• Cleanup and improvement to test coverage of PandasTools (#1215)

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• Coverage rdkit.DataStructs (#1211)

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• Coverage rdkit.Dbase (#1210)

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• Gedeck review unit test inchi (#1209)

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• Gedeck coverage sim div filters (#1208)

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• Cleanup of rdkit.Chem.Fingerprints (#1217)

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• Turns on -fpermissive for gcc >= 6 and boost < 1.62 (#1225)

  

  bp-kelley

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  greglandrum

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Commits on Dec 23, 2016

• Fixes #1230 (#1231)

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  greglandrum

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