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MehmetAzizYirik
/
MAYGEN
MAYGEN is an open source chemical structure generator based on the orderly graph generation method.
MIT License
47
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15
forks
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Add links in readme ?
#124
lpatiny
closed
1 year ago
2
I have graciously updated to CDK 2.9
#123
javadev
closed
1 year ago
4
Update maven.yml
#122
javadev
closed
1 year ago
2
Reused SDFWriter from CDK.
#121
javadev
closed
1 year ago
5
Cdk 2.8 was released
#120
javadev
closed
1 year ago
2
Syncronyzation classes and unit tests with cdk.
#119
javadev
closed
2 years ago
3
Added MaygenConsole class.
#118
javadev
closed
2 years ago
3
Added more unit tests.
#117
javadev
closed
2 years ago
2
Replaced commons-lang3 dependency with utility class.
#116
javadev
closed
2 years ago
3
Add structure filters
#115
boglet
opened
2 years ago
1
Bump from cdk 2.5 to 2.6.
#114
javadev
closed
2 years ago
5
Fixed sonar warnings.
#113
javadev
closed
2 years ago
6
Fixed sonar warnings, improved badge links.
#112
javadev
closed
2 years ago
4
Fixed pom.xml.
#111
javadev
closed
2 years ago
2
Renamed MAYGEN class, added javadocs.
#110
javadev
closed
2 years ago
3
Fixed sonar warnings.
#109
javadev
closed
2 years ago
1
Changed class visibility.
#108
javadev
closed
2 years ago
2
Fixed sonarcloud warnings.
#107
javadev
closed
2 years ago
2
Added support for boundaries checks.
#106
javadev
closed
2 years ago
2
Added support for boundaries arguments.
#105
javadev
closed
2 years ago
2
Improved BoundaryConditions class.
#104
javadev
closed
2 years ago
2
There is no generated file for only -o key.
#103
javadev
closed
2 years ago
0
Console output for -smi is not working
#102
javadev
closed
2 years ago
0
Fixed console output for smi, added -sdf for only -o key.
#101
javadev
closed
2 years ago
3
Fixed static valences variable.
#100
javadev
closed
2 years ago
1
Improved elements support.
#99
javadev
closed
2 years ago
3
Create SECURITY.md
#98
javadev
closed
2 years ago
2
Added codeql for security scans.
#97
javadev
closed
2 years ago
2
Fixed sonarcloud warnings.
#96
javadev
closed
2 years ago
2
Added fuzzy formula support.
#95
javadev
closed
2 years ago
2
Revert to the former version
#94
MehmetAzizYirik
closed
2 years ago
1
Fixed code analysis warnings.
#93
javadev
closed
2 years ago
1
Fixed code analysis warnings.
#92
javadev
closed
2 years ago
1
Added fuzzy formula support.
#91
javadev
closed
2 years ago
2
Fuzzy Maygen
#90
MehmetAzizYirik
closed
2 years ago
1
Fixed sonarcloud warnings.
#89
javadev
closed
2 years ago
3
Added logo.
#88
javadev
closed
3 years ago
2
Added logo.
#87
javadev
closed
3 years ago
1
Added logo.
#86
javadev
closed
3 years ago
2
Fixed help message.
#85
javadev
closed
3 years ago
2
Added version 1.8 to the MAYGEN and citation.cff.
#84
javadev
closed
3 years ago
2
feature suggestion: extend consideration of stereo chemistry
#83
nbehrnd
opened
3 years ago
1
feature suggest: extend export of .sdf
#82
nbehrnd
opened
3 years ago
0
feature suggestion: move version information, add help option
#81
nbehrnd
closed
3 years ago
5
Fixed sonarcloud warnings.
#80
javadev
closed
3 years ago
3
Added support for OnSm formulae, SMILESWriter, SDFWriter and multithread mode.
#79
javadev
closed
3 years ago
2
Updates on functions for OnSm formulae, SMILESWriter, SDFWriter and multithread mode.
#78
MehmetAzizYirik
closed
3 years ago
2
Fixed sdf generation in multithread
#77
javadev
closed
3 years ago
2
Option to constraint generation to contain specific substructures
#76
chaileon
opened
3 years ago
1
Add an option to filter invalid valences
#75
jasondbiggs
closed
3 years ago
6
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