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Issues list

make featurization in FeaturizedAtoms a const once Julia 1.8 is released good first issue Good for newcomers longterm Cool things that probably won't happen for awhile
#137 opened Mar 8, 2022 by thazhemadam
Using strings to create Featurizations via GraphNodeFeaturization doesn't work with things other than ElementFeatureDescriptors bug Something isn't working
#129 opened Dec 2, 2021 by Boxylmer
1
PyCall may be a CI hurdle
#108 opened Jul 21, 2021 by DhairyaLGandhi
4
move output_file_path to positional arguments in AtomGraph constructor from file enhancement New feature or request priority feature to add or bug to fix soon!
#107 opened Jul 19, 2021 by rkurchin
improve/expand tests for FeaturizedAtoms, encoding priority feature to add or bug to fix soon!
#94 opened Jun 30, 2021 by rkurchin
2
custom broadcast for featurize enhancement New feature or request
#93 opened Jun 30, 2021 by rkurchin
make a validate_features function
#88 opened Jun 23, 2021 by rkurchin
some ElementFeature convenience functions enhancement New feature or request good first issue Good for newcomers hacktoberfest Hacktoberfest!
#71 opened Jun 4, 2021 by rkurchin
2 tasks
5
finish updating WeaveModel-related stuff for restructure priority feature to add or bug to fix soon!
#70 opened Jun 4, 2021 by rkurchin
3 tasks
1
@thazhemadam
5
Use Intervals.jl in onehot-decode enhancement New feature or request
#65 opened May 21, 2021 by rkurchin
Coulomb Matrix featurization enhancement New feature or request longterm Cool things that probably won't happen for awhile
#64 opened May 20, 2021 by rkurchin
rdkit deps via RDKitMinimalLib enhancement New feature or request
#60 opened May 6, 2021 by rkurchin
make features unitful? enhancement New feature or request
#57 opened Apr 19, 2021 by rkurchin
3
other neighbor list options enhancement New feature or request
#49 opened Mar 16, 2021 by rkurchin
Option of numerical and not just one-hot features enhancement New feature or request hacktoberfest Hacktoberfest!
#40 opened Feb 10, 2021 by rkurchin
1
More options in graph-building enhancement New feature or request
#24 opened Nov 9, 2020 by rkurchin
allow more edge features enhancement New feature or request longterm Cool things that probably won't happen for awhile
#23 opened Oct 27, 2020 by rkurchin
@rkurchin
parallelize graph-building enhancement New feature or request
#22 opened Oct 19, 2020 by rkurchin
@rkurchin @thazhemadam
6
Autodiff the graph building for "forces" enhancement New feature or request longterm Cool things that probably won't happen for awhile
#10 opened Sep 18, 2020 by rkurchin
10
add subgraph/"supergraph" functions to AtomGraph enhancement New feature or request
#9 opened Sep 14, 2020 by rkurchin
@rkurchin
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