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mojaie
/
MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
MIT License
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V3000 format
#60
hhaensel
closed
1 year ago
6
Generalize exception type
#59
timholy
closed
2 years ago
2
Breaking changes in v0.10.0
#58
mojaie
closed
1 year ago
2
Re-design of MCS calculation functions
#57
mojaie
closed
3 years ago
1
Parse % symbols for ring closures in SMILES
#56
mojaie
closed
3 years ago
0
MMP
#55
mojaie
opened
3 years ago
0
MassInstallAction: Install the Documenter workflow on this repository
#54
mojaie
closed
3 years ago
0
MassInstallAction: Install the TagBot workflow on this repository
#53
mojaie
closed
3 years ago
0
TagBot trigger issue
#52
JuliaTagBot
closed
3 years ago
17
New release?
#51
timholy
closed
3 years ago
4
Performance of common substructure/maximalcliques
#50
timholy
opened
3 years ago
4
Atom color set
#49
mojaie
closed
1 year ago
1
Monomorphism mapping algorithm and its performance
#48
mojaie
closed
3 years ago
1
Add covalent radii and 3d drawing utilities
#47
timholy
closed
3 years ago
5
Any interest in 3d display?
#46
timholy
closed
3 years ago
7
Add substructure 1:1 node matching
#45
timholy
closed
3 years ago
1
outerplanarity test failure on Julia 1.6
#44
timholy
closed
3 years ago
5
Don't specialize connectedcomponents for subgraphs
#43
timholy
closed
3 years ago
0
Bridges depend on starting node
#42
timholy
closed
3 years ago
6
Add outer constructors for "state" types
#41
timholy
closed
3 years ago
0
Make subgraph operations more generic
#40
timholy
closed
3 years ago
0
Format of return from `edgesubgraphmatches`?
#39
timholy
closed
3 years ago
1
Activate CI
#38
timholy
closed
3 years ago
2
Support multiline attributes
#37
timholy
closed
3 years ago
2
Add a few more topics?
#36
timholy
closed
3 years ago
2
sdfilewriter should be closed
#35
mojaie
closed
3 years ago
0
largestcomponent comment
#34
Kelvyn88
closed
2 years ago
5
Tidy up structure matching functions
#33
mojaie
closed
3 years ago
3
modified sdfilewriter to use filename
#32
richardskim111
closed
3 years ago
1
Duplicate detection in functional groups
#31
Kelvyn88
closed
3 years ago
2
Check for Julia v1.5
#30
mojaie
closed
3 years ago
1
CIP and stereochemistry
#29
mojaie
opened
3 years ago
0
Layout mechanism in drawing
#28
mojaie
opened
3 years ago
2
Functional group analysis
#27
mojaie
closed
1 year ago
1
Gaps in allene-like double bonds
#26
mojaie
closed
3 years ago
2
No charge on carbon chain SVG
#25
mojaie
closed
3 years ago
1
structure image grid
#24
mojaie
closed
1 year ago
3
moltosmiles function?
#23
richardskim111
opened
3 years ago
3
Get rid of too many descriptor caches
#22
mojaie
closed
3 years ago
3
refactor molecular property methods
#21
mojaie
closed
3 years ago
3
default preprocessing
#20
mojaie
closed
3 years ago
3
CompatHelper: add new compat entry for "JSON" at version "0.21"
#19
github-actions[bot]
closed
4 years ago
0
InChI
#18
mojaie
closed
3 years ago
0
Serialization
#17
mojaie
closed
3 years ago
0
Render svg to Gtk
#16
Kelvyn88
closed
4 years ago
0
Information about simulatemassspec
#15
Kelvyn88
closed
4 years ago
4
Topics and destructive changes in v0.6.0
#14
mojaie
closed
4 years ago
3
Save SVG to files.
#13
Kelvyn88
closed
4 years ago
6
Funcional groups
#12
Kelvyn88
closed
4 years ago
3
Working on stereochemistry
#11
mojaie
closed
4 years ago
1
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