v0.2.4

AtomicGraphNets v0.2.4

Diff since v0.2.3

Closed issues:

• Update for Flux 0.13 (#103)

Merged pull requests:

• CompatHelper: bump compat for Flux to 0.13, (keep existing compat) (#104) (@github-actions[bot])
• update for Flux 0.13 (#105) (@rkurchin)
• CompatHelper: add new compat entry for ChemistryFeaturization at version 0.7, (keep existing compat) (#106) (@github-actions[bot])
• fix: explicitly import params from Flux (#108) (@thazhemadam)

v0.2.3

AtomicGraphNets v0.2.3

Diff since v0.2.2

Merged pull requests:

• CompatHelper: bump compat for DifferentialEquations to 7, (keep existing compat) (#94) (@github-actions[bot])
• updating for CF 0.7 (#96) (@rkurchin)
• Add show method for AGNConv (#100) (@DhairyaLGandhi)
• fix docs (#102) (@rkurchin)

v0.2.2

AtomicGraphNets v0.2.2

Diff since v0.2.1

Merged pull requests:

• v0.2.2 (#92) (@rkurchin)

v0.2.1

AtomicGraphNets v0.2.1

Diff since v0.2.0

Closed issues:

• add examples to unit tests (#59)
• add tests that models train, also add SGCNN tests (#78)
• update examples for new CF API (#81)

Merged pull requests:

• update examples, add full-model tests (#82) (@rkurchin)
• CompatHelper: add new compat entry for "NNlib" at version "0.7" (#83) (@github-actions[bot])
• CompatHelper: bump compat for ChemistryFeaturization to 0.5, (keep existing compat) (#87) (@github-actions[bot])
• CompatHelper: bump compat for CSV to 0.9, (keep existing compat) (#88) (@github-actions[bot])

v0.1.4

AtomicGraphNets v0.1.4

Diff since v0.1.3

v0.2.0

AtomicGraphNets v0.2.0

Diff since v0.1.3

v0.1.3

AtomicGraphNets v0.1.3

Diff since v0.1.2

Closed issues:

• Make docs! (#14)
• project logo (#55)
• Set up community guidelines and standards (#58)
• make a changelog (#65)

Merged pull requests:

• SGCNN (#36) (@rkurchin)
• Add changelog to docs (#67) (@rkurchin)
• CompatHelper: bump compat for "Flux" to "0.12" (#68) (@github-actions[bot])
• add contribution guidelines (#71) (@rkurchin)
• docs: make.jl: minor fix - update "Edit on GitHub" redirect (#73) (@thazhemadam)
• CompatHelper: bump compat for "DataFrames" to "1" (#74) (@github-actions[bot])
• Update to work with new ChemistryFeaturization API (#77) (@rkurchin)
• add formatting in CI, add secret so codecov hopefully works again (#79) (@rkurchin)

v0.1.2

AtomicGraphNets v0.1.2

Diff since v0.1.1

Closed issues:

• Platform-specific conda environment files (#54)
• glorot_uniform needs to be imported (#56)
• prepare for Flux v0.12 (#60)

Merged pull requests:

• Fix Examples (#57) (@thazhemadam)
• deploy docs (#61) (@rkurchin)
• fix examples for Flux v0.12 (#62) (@rkurchin)
• Remove Documenter from dependencies of package (#64) (@giordano)

v0.1.1

AtomicGraphNets v0.1.1

Diff since v0.1.0

Merged pull requests:

• Basic Documentation (#53) (@thazhemadam)

v0.1.0

AtomicGraphNets v0.1.0

Closed issues:

• DEQ layer (#5)
• rename package (#6)
• standardized models (#7)
• avoid multiple laplacian computations (#9)
• set up CI/codecov (#15)
• Register the package! (#25)

Merged pull requests:

• Use restructure/destructure to handle conv DEQ layer (#1) (@ChrisRackauckas)
• Allow training on larger datasets (#2) (@DhairyaLGandhi)
• DEQ layer (#4) (@rkurchin)
• [WIP] add Xie model, other cleanup (#8) (@rkurchin)
• [WIP] first round speedups (#13) (@rkurchin)
• [WIP] set up CI/codecov (#16) (@rkurchin)
• CompatHelper: add new compat entry for "LightGraphs" at version "1.3" (#18) (@github-actions[bot])
• CompatHelper: add new compat entry for "SimpleWeightedGraphs" at version "1.1" (#19) (@github-actions[bot])
• CompatHelper: add new compat entry for "CSV" at version "0.7" (#20) (@github-actions[bot])
• CompatHelper: add new compat entry for "Zygote" at version "0.5" (#22) (@github-actions[bot])
• CompatHelper: add new compat entry for "Flux" at version "0.11" (#23) (@github-actions[bot])
• CompatHelper: add new compat entry for "DataFrames" at version "0.21" (#24) (@github-actions[bot])
• [WIP] add QM9 example (#26) (@rkurchin)
• [WIP] fix pooling (#31) (@rkurchin)
• CompatHelper: add new compat entry for "DiffEqBase" at version "6.49" (#34) (@github-actions[bot])
• CompatHelper: add new compat entry for "GraphPlot" at version "0.4" (#35) (@github-actions[bot])
• CompatHelper: add new compat entry for "DiffEqSensitivity" at version "6.35" (#38) (@github-actions[bot])
• CompatHelper: add new compat entry for "DiffEqSensitivity" at version "6.35" (#39) (@github-actions[bot])
• CompatHelper: bump compat for "Zygote" to "0.6" (#44) (@github-actions[bot])
• fix compat issues (#46) (@rkurchin)
• CompatHelper: add new compat entry for "ChemistryFeaturization" at version "0.1" (#47) (@github-actions[bot])
• CompatHelper: bump compat for "ChemistryFeaturization" to "0.2" (#48) (@github-actions[bot])
• getting ready to register (#49) (@rkurchin)
• tidying up examples (#50) (@rkurchin)