denoptim-project/DENOPTIM issues and pull requests

#136 - New symmetry detection algorithm

Pull Request - State: closed - Opened by marcellocostamagna 9 months ago

#135 - Finding fitness files whe run results are moved

Issue - State: open - Opened by marcellocostamagna 9 months ago

#134 - descriptors other than CDK's

Issue - State: open - Opened by marco-foscato 9 months ago

#133 - Sym vrtxs in same branch devel

Pull Request - State: closed - Opened by marcellocostamagna 10 months ago - 1 comment

#132 - default values in GUI

Issue - State: open - Opened by marco-foscato about 1 year ago

#131 - MDLV3000Reader

Issue - State: open - Opened by marco-foscato about 1 year ago

#130 - version number is log

Issue - State: open - Opened by marco-foscato about 1 year ago

#129 - Problems when Reading in SDF Files with More than 99 Bonds

Issue - State: closed - Opened by weymutht about 1 year ago

#128 - Merge patch v3 to master

Pull Request - State: closed - Opened by marco-foscato over 1 year ago

#127 - prepare to merging patch-v3

Pull Request - State: closed - Opened by marco-foscato over 1 year ago

#126 - fix APClass-controlled mapping of APs

Pull Request - State: closed - Opened by marco-foscato over 1 year ago

#125 - add timeout for fragment isonorphism inspector

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#124 - Devel add ring mutation

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#123 - creation of noarch package

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#122 - add possibility to save generations to file

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#121 - Challenges with Nomenclature and Compatibility Matrix in Molecule Building Blocks

Issue - State: open - Opened by ggoetten almost 2 years ago - 6 comments
Labels: documentation

#120 - Bump spring-core from 6.0.7 to 6.0.8

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#119 - Fix init pop via screening

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#118 - Fix of SUS selection strategy: step2

Pull Request - State: closed - Opened by marcellocostamagna almost 2 years ago

#117 - Fix of SUS selection strategy: step1

Pull Request - State: closed - Opened by marcellocostamagna almost 2 years ago

#116 - Devel use existing initial mols

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#115 - Devel socket providers

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#114 - Devel standard ga

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#113 - merge devel branch

Pull Request - State: closed - Opened by marco-foscato almost 2 years ago

#112 - Add 2d mol viewer

Pull Request - State: closed - Opened by marco-foscato about 2 years ago

#111 - Fix memory leak

Pull Request - State: closed - Opened by marco-foscato about 2 years ago

#110 - upgrade github workflow for conda package

Issue - State: open - Opened by marco-foscato about 2 years ago

#109 - debug detection of probability scheme

Pull Request - State: closed - Opened by marco-foscato about 2 years ago

#108 - trigger error upon invalid parent selection mode

Pull Request - State: closed - Opened by marco-foscato about 2 years ago

#107 - Make unit test use its own folder not /tmp

Issue - State: open - Opened by marco-foscato about 2 years ago - 1 comment

#106 - Devel smiles reader fix

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#105 - SMILESReader merging: Step2

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago - 1 comment

#104 - SMILESReader Merging: Step1

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago

#103 - Set up doxygen workflow

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#102 - Add option to not add dummy atoms un fragmentation

Issue - State: open - Opened by marco-foscato over 2 years ago

#101 - devel_docs merge:step2

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago - 3 comments

#100 - devel_docs merge:step1

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago

#99 - devel_doc conclusion: step1

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago - 1 comment

#98 - Devel save cutting rules

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#97 - Add button to save cutting rules

Issue - State: closed - Opened by marco-foscato over 2 years ago

#96 - Errors in code snippets and variable names

Issue - State: closed - Opened by marco-foscato over 2 years ago - 1 comment

#95 - Devel Docs

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago

#94 - Fix rc

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#93 - Devel python interface

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#92 - Importing from master

Pull Request - State: closed - Opened by marcellocostamagna over 2 years ago - 1 comment

#91 - Adding link to tutorials

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#90 - Integrate fragmenter

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#89 - Running tests on W10

Issue - State: closed - Opened by agiani99 over 2 years ago - 2 comments

#88 - Devel frag clusterer all vs all

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#87 - Devel edit changevertex

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#86 - introducing CD

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#85 - Bump spring-core from 5.3.19 to 5.3.20

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#84 - GitHub workflow to public conda packages

Issue - State: closed - Opened by marco-foscato over 2 years ago - 1 comment

#83 - add update of version ID

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#82 - Devel v3.0

Pull Request - State: closed - Opened by marco-foscato over 2 years ago

#81 - Devel v3.0

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#80 - Devel v3.0

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#79 - Add "Open graph" in vertex inspector

Issue - State: open - Opened by marco-foscato almost 3 years ago
Labels: enhancement

#78 - get devel branch in sync

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#77 - GUI: file name in card name

Issue - State: open - Opened by marco-foscato almost 3 years ago
Labels: enhancement

#76 - Bump spring-core from 5.3.16 to 5.3.19

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago
Labels: dependencies

#75 - Porting v3.0.2 to master

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#74 - Shortcuts

Issue - State: closed - Opened by jonasEkeli almost 3 years ago
Labels: Refactoring

#73 - Load Library of Vertexes

Issue - State: closed - Opened by jonasEkeli almost 3 years ago - 1 comment

#72 - Load Library of Vertexes

Issue - State: closed - Opened by jonasEkeli almost 3 years ago - 1 comment

#71 - Load Library of Vertexes

Issue - State: closed - Opened by jonasEkeli almost 3 years ago - 1 comment

#70 - Load Library of Vertexes

Issue - State: closed - Opened by jonasEkeli almost 3 years ago - 1 comment

#69 - Load Library of Vertexes

Issue - State: closed - Opened by jonasEkeli almost 3 years ago - 1 comment
Labels: good first issue, Refactoring

#68 - Enabling CI

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#67 - running examples on Git-bash under Windows?

Issue - State: closed - Opened by marco-foscato almost 3 years ago - 1 comment

#66 - Remove IdFragmentAndAP

Issue - State: open - Opened by marco-foscato almost 3 years ago - 1 comment
Labels: Refactoring

#65 - Devel maven build

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#64 - Devel atoms in json

Pull Request - State: closed - Opened by marco-foscato almost 3 years ago

#63 - Problems running tests

Issue - State: closed - Opened by Fplanas92 about 3 years ago - 7 comments
Labels: enhancement, version_3

#62 - Add Chemical representation to JSON?

Issue - State: closed - Opened by marco-foscato about 3 years ago - 1 comment
Labels: redesign

#61 - Undirected graph

Issue - State: open - Opened by marco-foscato about 3 years ago - 2 comments
Labels: redesign

#60 - Import interactive EA features

Pull Request - State: closed - Opened by marco-foscato over 3 years ago

#59 - collecting contribs to master

Pull Request - State: closed - Opened by marco-foscato over 3 years ago

#58 - Streamline ea

Pull Request - State: closed - Opened by marco-foscato over 3 years ago

#57 - Templates built on the fly should have highest symmetry

Issue - State: open - Opened by marco-foscato over 3 years ago
Labels: enhancement

#56 - OutOfBounds when removing atoms from fragment

Issue - State: closed - Opened by marco-foscato almost 4 years ago
Labels: bug

#55 - Open Recent...

Issue - State: closed - Opened by marco-foscato almost 4 years ago
Labels: enhancement

#54 - Restart from previous run

Issue - State: open - Opened by jonasEkeli almost 4 years ago
Labels: enhancement

#53 - New Class: Ring Closing Vertex

Issue - State: open - Opened by einarkjellback almost 4 years ago - 1 comment
Labels: Refactoring

#52 - Strategies for setting the probabilities of crossover, mutation and generating from scratch

Issue - State: open - Opened by einarkjellback almost 4 years ago
Labels: enhancement

#51 - Bug in constructor of PathSubGraph class

Issue - State: closed - Opened by einarkjellback almost 4 years ago
Labels: bug

#50 - Inconsistent order of list of attachment points

Issue - State: closed - Opened by einarkjellback almost 4 years ago - 1 comment

#49 - Use of IAtomContainer tags

Issue - State: open - Opened by einarkjellback almost 4 years ago - 3 comments
Labels: question

#48 - Different addAP(…) methods

Issue - State: closed - Opened by einarkjellback almost 4 years ago - 1 comment

#47 - Separate responsibility of Fragment and IAtomContainer

Issue - State: closed - Opened by einarkjellback almost 4 years ago - 2 comments

#46 - AP source atom

Issue - State: closed - Opened by einarkjellback almost 4 years ago - 1 comment

#45 - SerConverter fails converting graphs to structures

Issue - State: closed - Opened by philippba89 almost 4 years ago - 5 comments
Labels: enhancement

#44 - sync devel_graphTemplate

Pull Request - State: closed - Opened by marco-foscato almost 4 years ago

#43 - Merge pull request #42 from denoptim-project/devel_v3.0

Pull Request - State: closed - Opened by marco-foscato about 4 years ago

#42 - Devel v3.0

Pull Request - State: closed - Opened by marco-foscato about 4 years ago

#41 - Towards v3

Pull Request - State: closed - Opened by marco-foscato about 4 years ago
Labels: version_3

#40 - Solve wildcard option problem in GraphEdit class

Issue - State: closed - Opened by marco-foscato about 4 years ago
Labels: version_3

#39 - Devel new edge

Pull Request - State: closed - Opened by marco-foscato about 4 years ago

#38 - Towards release 2.2.3

Pull Request - State: closed - Opened by marco-foscato about 4 years ago

#37 - Open multiple graphs/candidates

Issue - State: closed - Opened by marco-foscato about 4 years ago - 1 comment
Labels: enhancement

GitHub / denoptim-project/DENOPTIM issues and pull requests