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qcscine
/
molassembler
Chemoinformatics toolkit with support for inorganic molecules
https://scine.ethz.ch/download/molassembler
BSD 3-Clause "New" or "Revised" License
33
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7
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a problem occured while compare two structures
#16
maoxinxina
closed
2 months ago
2
Compile error!
#15
zhangfq-chemistry
closed
4 months ago
5
Compilation with gcc 13.2.1
#14
LesTuche
closed
2 months ago
2
Graph.Cycles gives incorrect output
#13
ViktoriiaBaib
closed
12 months ago
2
Cannot get the conformer of Ir coordinate complex
#12
iuhgnor
closed
1 year ago
4
fail to install the library following the instruction..
#11
Clarkszw
closed
1 year ago
6
Isomorphism check failure
#10
ViktoriiaBaib
closed
1 year ago
5
ZeroAssignmentStereopermutators Error for unclear reason
#9
ViktoriiaBaib
closed
1 year ago
5
Linking against shared library
#8
awvwgk
closed
1 year ago
2
Do not copy shared libs into Python modules
#7
awvwgk
closed
1 year ago
11
Python bindings cannot link dynamically against shared library
#6
awvwgk
opened
2 years ago
4
Build fails with clang 13 on MacOS
#5
awvwgk
closed
1 year ago
4
Fails to detect installed dependencies
#4
awvwgk
opened
2 years ago
4
Build fails with GCC 11 on Linux
#3
awvwgk
opened
2 years ago
4
Use boost/outcome.hpp instead of outcome/outcome.hpp
#2
awvwgk
closed
1 year ago
3
Test failures on Linux with GCC 10
#1
awvwgk
opened
2 years ago
10