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check_fix
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check_fix
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Pavel Polishchuk
2af2be56f22
Replace wedge checker with three new ones
16 Nov 2018
Pavel Polishchuk
d468377f422
Fix error in sanitize_rdkit.py
17 Jun 2018
Pavel Polishchuk
00bca399756
Add "azo oxide" and "diazo 2" standardization rules
17 Jun 2018
Pavel Polishchuk
48a56bd7c36
Add checking number of components
17 Jun 2018
Pavel Polishchuk
32f569b4129
Add .idea dir to .gitignore
07 Jun 2018
Pavel Polishchuk
b546d5cb2f9
Disable tautomerization due to neurtalizing of charged molecules and disable activation of rdkit conda env
07 Jun 2018
Pavel Polishchuk
3dced0db060
Init repo
21 Nov 2017
Done