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14 Open 0 Closed
14 Open 0 Closed
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Issues list

Fix formal charge and stereo handling in monomer spec implementation bug Something isn't working
#27 opened Oct 18, 2024 by timbernat
2 tasks
@timbernat
Cleaning up implementation of fileutils.jsonio MultiTypeSerializer registration enhancement New feature or request
#26 opened Oct 18, 2024 by timbernat
4 tasks
@timbernat
Tree-like data structures and reorganization of dynamic import modules api breaking Will change how codes invoking a part of polymerist will be written deprecation Planned retirement of a module, class, or function enhancement New feature or request
#25 opened Oct 18, 2024 by timbernat
4 of 10 tasks
@timbernat
De-jankify implementation of DOP in polymer building api breaking Will change how codes invoking a part of polymerist will be written enhancement New feature or request
#24 opened Oct 18, 2024 by timbernat
5 tasks
@timbernat
Updates to NAGL partial charge handling enhancement New feature or request external dependency Refactors based on relationship to an outside package
#23 opened Oct 18, 2024 by timbernat
5 tasks
@timbernat
Enhancements to reaction templates and assemblers enhancement New feature or request planned-feature Changes or additons which are planned by the developer(s)
#15 opened May 17, 2024 by timbernat
6 tasks
@timbernat
Refinements to polymer_examples-derived code enhancement New feature or request planned-feature Changes or additons which are planned by the developer(s)
#14 opened May 17, 2024 by timbernat
5 tasks
@timbernat
Phasing out OpenMM-unit defaults throughout in favor of Pint-style units deprecation Planned retirement of a module, class, or function enhancement New feature or request planned-feature Changes or additons which are planned by the developer(s)
#13 opened May 17, 2024 by timbernat
6 tasks
@timbernat
Fileutils extension improvement enhancement New feature or request good first issue Good for newcomers planned-feature Changes or additons which are planned by the developer(s)
#7 opened Nov 17, 2023 by timbernat
3 tasks
@timbernat
Expansion of portlib enhancement New feature or request planned-feature Changes or additons which are planned by the developer(s)
#6 opened Nov 17, 2023 by timbernat
1 of 5 tasks
@timbernat
Expansion of port-bonding enhancement New feature or request planned-feature Changes or additons which are planned by the developer(s)
#5 opened Nov 17, 2023 by timbernat
3 of 11 tasks
@timbernat
Expand library of predefined solvents enhancement New feature or request good first issue Good for newcomers planned-feature Changes or additons which are planned by the developer(s)
#4 opened Nov 17, 2023 by timbernat
@timbernat
Stronger typing enhancement New feature or request planned-feature Changes or additons which are planned by the developer(s)
#3 opened Nov 17, 2023 by timbernat
2 of 5 tasks
@timbernat
Improved checks to sequential parameters in OpenMM simulation schedules bug Something isn't working planned-feature Changes or additons which are planned by the developer(s)
#2 opened Nov 17, 2023 by timbernat
1 of 4 tasks
@timbernat
ProTip! What’s not been updated in a month: updated:<2024-09-17.