denoptim-project/DENOPTIM

Issues

• Finding fitness files whe run results are moved

  #135 opened 6 months ago by marcellocostamagna
  0

• descriptors other than CDK's

  #134 opened 6 months ago by marco-foscato
  0

• default values in GUI

  #132 opened 10 months ago by marco-foscato
  0

• MDLV3000Reader

  #131 opened 10 months ago by marco-foscato
  0

• version number is log

  #130 opened 10 months ago by marco-foscato
  0

• Problems when Reading in SDF Files with More than 99 Bonds

  #129 opened 10 months ago by weymutht
  0

• Challenges with Nomenclature and Compatibility Matrix in Molecule Building Blocks

  #121 opened 2 years ago by ggoetten
  6

• upgrade github workflow for conda package

  #110 opened 2 years ago by marco-foscato
  0

• Make unit test use its own folder not /tmp

  #107 opened 2 years ago by marco-foscato
  1

• Add option to not add dummy atoms un fragmentation

  #102 opened 2 years ago by marco-foscato
  0

• Add button to save cutting rules

  #97 opened 2 years ago by marco-foscato
  0

• Errors in code snippets and variable names

  #96 opened 2 years ago by marco-foscato
  1

• Running tests on W10

  #89 opened 2 years ago by agiani99
  2

• Search for fragments

  #35 opened 2 years ago by marco-foscato
  1

• GitHub workflow to public conda packages

  #84 opened 2 years ago by marco-foscato
  1

• Add "Open graph" in vertex inspector

  #79 opened 3 years ago by marco-foscato
  0

• Remove IdFragmentAndAP

  #66 opened 3 years ago by marco-foscato
  1

• GUI: file name in card name

  #77 opened 3 years ago by marco-foscato
  0

• Shortcuts

  #74 opened 3 years ago by jonasEkeli
  0

• OutOfBounds when removing atoms from fragment

  #56 opened 3 years ago by marco-foscato
  0

• External tasks within internal fitness provider

  #34 opened 4 years ago by marco-foscato
  0

• Load Library of Vertexes

  #69 opened 3 years ago by jonasEkeli
  1

• running examples on Git-bash under Windows?

  #67 opened 3 years ago by marco-foscato
  1

• Load Library of Vertexes

  #72 opened 3 years ago by jonasEkeli
  1

• Load Library of Vertexes

  #71 opened 3 years ago by jonasEkeli
  1

• Load Library of Vertexes

  #70 opened 3 years ago by jonasEkeli
  1

• Load Library of Vertexes

  #73 opened 3 years ago by jonasEkeli
  1

• Open multiple graphs/candidates

  #37 opened 3 years ago by marco-foscato
  1

• Add Chemical representation to JSON?

  #62 opened 3 years ago by marco-foscato
  1

• GraphViewer from run inspector

  #25 opened 3 years ago by marco-foscato
  2

• Problems running tests

  #63 opened 3 years ago by Fplanas92
  7

• Undirected graph

  #61 opened 3 years ago by marco-foscato
  2

• Different addAP(…) methods

  #48 opened 3 years ago by einarkjellback
  1

• GUI - improvements

  #26 opened 3 years ago by marco-foscato
  1

• building large graphs that are rejected by filter

  #17 opened 3 years ago by marco-foscato
  3

• Templates built on the fly should have highest symmetry

  #57 opened 3 years ago by marco-foscato
  0

• Solve wildcard option problem in GraphEdit class

  #40 opened 3 years ago by marco-foscato
  0

• Open Recent...

  #55 opened 4 years ago by marco-foscato
  0

• Restart from previous run

  #54 opened 4 years ago by jonasEkeli
  0

• New Class: Ring Closing Vertex

  #53 opened 4 years ago by einarkjellback
  1

• Strategies for setting the probabilities of crossover, mutation and generating from scratch

  #52 opened 4 years ago by einarkjellback
  0

• Inconsistent order of list of attachment points

  #50 opened 4 years ago by einarkjellback
  1

• Bug in constructor of PathSubGraph class

  #51 opened 4 years ago by einarkjellback
  0

• Use of IAtomContainer tags

  #49 opened 4 years ago by einarkjellback
  3

• Separate responsibility of Fragment and IAtomContainer

  #47 opened 4 years ago by einarkjellback
  2

• AP source atom

  #46 opened 4 years ago by einarkjellback
  1

• SerConverter fails converting graphs to structures

  #45 opened 4 years ago by philippba89
  5

• Replace "Reaction" with "APClass"

  #33 opened 4 years ago by marco-foscato
  0

• From testing on Windows

  #14 opened 5 years ago by marco-foscato
  2

• GUI: location of tmp files' space

  #15 opened 5 years ago by marco-foscato
  0