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caseykneale
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OpenSMILES.jl
OpenSMILES parser in Julia
MIT License
26
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4
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#23
ProfLeao
closed
3 months ago
4
Parse other codes
#22
Leticia-maria
opened
2 years ago
2
Molecular Similarity
#21
Leticia-maria
opened
2 years ago
3
Chiral support
#20
Leticia-maria
opened
2 years ago
4
CompatHelper: add new compat entry for Revise at version 3, (keep existing compat)
#19
github-actions[bot]
opened
2 years ago
0
CompatHelper: add new compat entry for GraphPlot at version 0.5, (keep existing compat)
#18
github-actions[bot]
opened
2 years ago
0
CompatHelper: add new compat entry for LightGraphs at version 1, (keep existing compat)
#17
github-actions[bot]
closed
2 years ago
0
Correct workflows
#16
Leticia-maria
closed
2 years ago
6
Problems with ParseSMILES - missing add_vertex method
#15
Leticia-maria
closed
2 years ago
14
Migrate from LightGraphs to Graphs.jl
#14
simonschoelly
closed
2 years ago
0
Benchmarks
#13
timholy
opened
3 years ago
7
Add `instantiate_hydrogens`
#12
timholy
closed
3 years ago
1
Finish transition to index-based parsing
#11
timholy
closed
3 years ago
2
Don't double-count "Hcount" hydrogens
#10
timholy
closed
3 years ago
0
Improve Bracket parsing and full chirality parsing
#9
timholy
closed
3 years ago
4
A few small cleanups
#8
timholy
closed
3 years ago
4
Don't error when parsing chiral SMILES
#7
timholy
closed
3 years ago
5
Support aromatics that follow aliphatics
#6
timholy
closed
3 years ago
0
Docs
#5
caseykneale
opened
4 years ago
2
Find where/if it breaks down
#4
caseykneale
opened
4 years ago
0
CompatHelper: add new compat entry for "SimpleWeightedGraphs" at version "1.1"
#3
github-actions[bot]
closed
4 years ago
1
CompatHelper: add new compat entry for "LightGraphs" at version "1.3"
#2
github-actions[bot]
closed
4 years ago
2
v0.1.0
#1
caseykneale
opened
4 years ago
12