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Yusuf Hamied Department of Chemistry
Hunter Group
SSIPtools
MEPSGen
cmlgenerator
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Tags give the ability to mark specific points in history as being important
2.0.0
0ccda63e
·
Merge branch 'openbabel3' into 'master'
·
Apr 08, 2021
Release:
Release 2.0.0
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2.0.0.b1
49d06ab5
·
update to ensure correct processing of directory keyword.
·
Jul 24, 2020
Release:
Release 2.0.0.b1
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2.0.0.a5
aa5fb1f5
·
update to import in main.
·
Jan 02, 2020
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2.0.0.a4
30c82390
·
use variable instead of strings.
·
Jan 02, 2020
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2.0.0.a3
6e82cdb4
·
code clean up.
·
Dec 24, 2019
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2.0.0.a2
d706402f
·
update tests and imports.
·
Dec 20, 2019
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2.0.0.a1
ec46e6bc
·
update environment to python 3.
·
Dec 20, 2019
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1.2.0
ec835729
·
update to use conformer generation and select the minimum energy one to output.
·
Mar 14, 2019
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1.1.0
d6e2f12b
·
update to catch errors and output information about the molecules that failed.
·
Jan 15, 2019
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1.0.1
7186118e
·
update to make sure batch smiles processing works.
·
Jan 07, 2019
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1.0.0
856139c1
·
increment version.
·
Aug 14, 2018
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