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commitbot |
[cdk] egonw pushed 3 new commits to master: http://git.io/cqhIoQ |
| 11:51 |
commitbot |
cdk/master 6740a8e John May: Hydrogens not added for query structure (aromatic bonds in MDL are query structures).... |
| 11:51 |
commitbot |
cdk/master e89f583 John May: JavaDoc warnings in MACCS and ESTATE fingerprints.... |
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commitbot |
cdk/master b70324c John May: Inline structure loading so that hydrogens are not present.... |
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commitbot |
[cdk] egonw pushed 1 new commit to master: http://git.io/hp8K7g |
| 19:21 |
commitbot |
cdk/master 105a379 John May: Thread unsafe warning for PubChemFingerprinter.... |
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commitbot |
[cdk] egonw pushed 4 new commits to master: http://git.io/lQhLuA |
| 19:38 |
commitbot |
cdk/master fd1a5a3 John May: Apply valence model after fixing hydrogen isotopes.... |
| 19:38 |
commitbot |
cdk/master 6149174 John May: Use isotope factory to get the deuterium and tritium isotope values.... |
| 19:38 |
commitbot |
cdk/master b3d3058 John May: Correcting SMILES errors.... |
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