gilleain moleculegen issues - Githubissues

gilleain / moleculegen

Molecule generation code, related to OMG, but using a slightly different algorithm

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issues

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How to generate the app.AMG or moleculegen.jar

#11 tobigithub opened 8 years ago
1
Use a simpler graph model internally

#10 gilleain opened 8 years ago
0
Test using the first 100 small formulae

#9 gilleain closed 8 years ago
1
Hook up the nAUTy-like canonical checker

#8 gilleain opened 8 years ago
0
Documentation on classes and methods

#7 gilleain opened 8 years ago
0
Move code in branch folder into proper branch

#6 gilleain closed 8 years ago
1
AMG calculates with exceeding valencies

#5 tobigithub closed 8 years ago
2
CN4 issue

#4 tobigithub closed 8 years ago
2
Error check on 250 formulae

#3 tobigithub opened 12 years ago
0
CH4 one isomer

#2 tobigithub closed 8 years ago
2
C7H2 wrong isomer count

#1 tobigithub closed 8 years ago
2