SimonEnsemble/MolecularGraphKernels.jl issues and pull requests

#109 - SMILES graph attribute

Issue - State: open - Opened by eahenle about 1 year ago

#108 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: formatting, automated pr, no changelog

#107 - kernel_vector

Pull Request - State: closed - Opened by eahenle over 1 year ago - 1 comment

#106 - method to run 1-vs.-all kernel computations

Issue - State: closed - Opened by eahenle over 1 year ago

#105 - allow length `0` walks

Issue - State: closed - Opened by SimonEnsemble over 1 year ago - 1 comment

#104 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: formatting, automated pr, no changelog

#103 - GraphMakie

Pull Request - State: open - Opened by eahenle over 1 year ago - 3 comments

#102 - Added Graphlet kernel and tests

Pull Request - State: closed - Opened by caseyhad over 1 year ago - 3 comments

#101 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: formatting, automated pr, no changelog

#100 - simplify

Pull Request - State: closed - Opened by eahenle over 1 year ago - 2 comments

#99 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: formatting, automated pr, no changelog

#98 - patch progress meters

Pull Request - State: closed - Opened by eahenle over 1 year ago - 2 comments

#97 - `Molecule` data type?

Issue - State: open - Opened by eahenle over 1 year ago

#96 - gram matrix progress meters

Issue - State: open - Opened by eahenle almost 2 years ago

#95 - improve gram matrix parallelism

Issue - State: open - Opened by eahenle almost 2 years ago

#94 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#93 - remove FIGlet dep

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

#92 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#91 - Run limits

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

#90 - channel parallelism

Pull Request - State: closed - Opened by eahenle almost 2 years ago - 1 comment

#89 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#88 - refactor parallelism

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

#87 - recovery

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

#86 - guard against RAM crashes

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

#85 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#84 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#83 - Workflow-updates

Pull Request - State: closed - Opened by eahenle almost 2 years ago - 3 comments

#82 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#81 - Distrib-latency

Pull Request - State: closed - Opened by eahenle almost 2 years ago - 1 comment

#80 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#79 - Gram matrix parallelism

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

#78 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#77 - Benchmark

Pull Request - State: closed - Opened by eahenle almost 2 years ago - 1 comment

#76 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#75 - Optimization

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#74 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#73 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#72 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#71 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#70 - Working

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#69 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#68 - add test + allow adjustments to graph viz

Pull Request - State: closed - Opened by SimonEnsemble about 2 years ago - 3 comments

#67 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#66 - Normalization

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#65 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#64 - c-clique constraint option

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#63 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#62 - Kernels

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#61 - consider more CI

Issue - State: closed - Opened by eahenle about 2 years ago
Labels: CI

#60 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#59 - atomic coordinates in graph viz

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#58 - compat

Issue - State: closed - Opened by eahenle about 2 years ago

#57 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#56 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#55 - Alpha mask

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#54 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#53 - isomorphic subgraphs

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#52 - light gray d-type edges

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#51 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#50 - cpk colors from PeriodicTable

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#49 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#48 - Induced subgraph

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#47 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#46 - simplify maccs

Pull Request - State: closed - Opened by SimonEnsemble about 2 years ago - 2 comments

#45 - rm dependency on `Xtals`

Issue - State: closed - Opened by SimonEnsemble about 2 years ago - 1 comment

#44 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#43 - CSI kernel

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#42 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#41 - gram matrix

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#40 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#39 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#38 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#37 - force pr check

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#36 - yo dawg

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#35 - maccs fingerprint

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#34 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#33 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#32 - Create format.yml

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#31 - precompile

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#30 - add ability to highlight a set of nodes, in the `viz_graph`.

Issue - State: closed - Opened by SimonEnsemble about 2 years ago - 4 comments

#29 - different edge appearance for d-type

Issue - State: closed - Opened by eahenle about 2 years ago

#28 - display data

Issue - State: closed - Opened by eahenle about 2 years ago

#27 - documentation

Issue - State: open - Opened by eahenle about 2 years ago
Labels: documentation

#26 - atomic coordinates in graph visualization

Issue - State: closed - Opened by eahenle about 2 years ago - 1 comment
Labels: enhancement

#25 - gram matrix computation

Issue - State: closed - Opened by eahenle about 2 years ago
Labels: enhancement

#24 - add viz test PDFs to CI artifacts

Issue - State: open - Opened by eahenle about 2 years ago
Labels: CI

#23 - geometric rwk

Issue - State: open - Opened by eahenle about 2 years ago
Labels: enhancement, kernels

#22 - rename graph_kernel

Issue - State: closed - Opened by eahenle about 2 years ago

#21 - subgraph matching kernel

Issue - State: closed - Opened by eahenle about 2 years ago
Labels: enhancement, kernels

#20 - rename factor product graph to modular product graph?

Issue - State: closed - Opened by eahenle about 2 years ago

#19 - more products/kernels

Issue - State: open - Opened by eahenle about 2 years ago - 2 comments
Labels: enhancement, kernels

#18 - graphlet sampling kernel

Issue - State: open - Opened by eahenle about 2 years ago
Labels: enhancement, kernels

#17 - grakel comparison/benchmarking?

Issue - State: open - Opened by eahenle about 2 years ago
Labels: documentation

#16 - `viz_graph` metadata

Issue - State: closed - Opened by eahenle about 2 years ago

#15 - explicit H atoms

Issue - State: open - Opened by eahenle about 2 years ago
Labels: enhancement

#14 - Graph types

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#13 - viz_graph CPK colors cause minor problem

Issue - State: closed - Opened by eahenle about 2 years ago - 2 comments

#12 - Simplify

Pull Request - State: closed - Opened by SimonEnsemble about 2 years ago - 1 comment

#11 - TagBot trigger issue

Issue - State: closed - Opened by JuliaTagBot about 2 years ago - 26 comments

#10 - v0.2.0

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

GitHub / SimonEnsemble/MolecularGraphKernels.jl issues and pull requests