Skip to content

Issues: Chemellia/ChemistryFeaturization.jl

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

20 Open 23 Closed
20 Open 23 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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
ProTip! What’s not been updated in a month: updated:<2024-10-09.