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rdkit
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a611e7f91787a82e9b7ee866015eb20bf4e9305f
rdkit
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Ric
a611e7f917
Update maeparser & coordgen libraries (
#2302
)
...
* update maeparser & coordgen * fix iostreams linking * add shared_ptr constructor
2019-03-06 08:26:39 +01:00
..
AvalonTools
don't use a ctab as input for the computation of 2D coordinates (
#2255
)
2019-02-25 12:39:01 -05:00
catch
switch the catch2 handling to a normal download (
#2127
)
2018-10-22 04:22:36 +02:00
CoordGen
Update maeparser & coordgen libraries (
#2302
)
2019-03-06 08:26:39 +01:00
FreeSASA
Fix (most of) mem problems (
#2123
)
2018-10-29 14:33:26 +00:00
INCHI-API
Allow converting mol blocks directly to InChI (
#2262
)
2019-02-13 09:43:02 -05:00
pymol/modules
/pymol
Replace has_key use in Python (#issue1042) (
#1132
)
2016-10-29 04:41:57 +02:00
CMakeLists.txt
Integrate Coordgen (
#1708
)
2018-02-15 05:36:03 +01:00