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Revision of default templates: Fixes and Disambiguation for inconsistent residue names in CHARMM Build/upload sdist and wheel Package to PyPI #209: Pull request #256 synchronize by rwxayheee
November 30, 2024 00:14 20s rwxayheee:template_mod
rwxayheee:template_mod
November 30, 2024 00:14 20s
Revision of default templates: Fixes and Disambiguation for inconsistent residue names in CHARMM Build/upload sdist and wheel Package to PyPI #208: Pull request #256 synchronize by rwxayheee
November 30, 2024 00:09 20s rwxayheee:template_mod
rwxayheee:template_mod
November 30, 2024 00:09 20s
Revision of default templates: Fixes and Disambiguation for inconsistent residue names in CHARMM Build/upload sdist and wheel Package to PyPI #207: Pull request #256 synchronize by rwxayheee
November 28, 2024 01:46 25s rwxayheee:template_mod
rwxayheee:template_mod
November 28, 2024 01:46 25s
Revision of default templates: Fixes and Disambiguation for inconsistent residue names in CHARMM Build/upload sdist and wheel Package to PyPI #206: Pull request #256 opened by rwxayheee
November 28, 2024 01:44 25s rwxayheee:template_mod
rwxayheee:template_mod
November 28, 2024 01:44 25s
Add keyword argument rename_atoms to MoleculePreparation.prepare and make option avail in CLI script Build/upload sdist and wheel Package to PyPI #205: Pull request #255 opened by rwxayheee
November 27, 2024 23:47 22s rwxayheee:molsetup_python_usage
rwxayheee:molsetup_python_usage
November 27, 2024 23:47 22s
v0.6.1 Build/upload sdist and wheel Package to PyPI #204: Release v0.6.1 published by diogomart
November 18, 2024 23:18 27s
November 18, 2024 23:18 27s
uniformize os.linesep as eol (no pathlib.os in Python 3.13) Build/upload sdist and wheel Package to PyPI #203: Pull request #249 synchronize by rwxayheee
November 17, 2024 05:34 23s diogomart:clean_import_os
diogomart:clean_import_os
November 17, 2024 05:34 23s
uniformize os.linesep as eol (no pathlib.os in Python 3.13) Build/upload sdist and wheel Package to PyPI #202: Pull request #249 opened by diogomart
November 17, 2024 05:09 25s diogomart:clean_import_os
diogomart:clean_import_os
November 17, 2024 05:09 25s
Export pdb rdkitflexres Build/upload sdist and wheel Package to PyPI #201: Pull request #245 opened by althea-hansel
November 15, 2024 22:31 24s export_pdb_rdkitflexres
export_pdb_rdkitflexres
November 15, 2024 22:31 24s
add test and example data to manifest.in Build/upload sdist and wheel Package to PyPI #200: Pull request #244 opened by diogomart
November 15, 2024 18:26 22s diogomart:manifest
diogomart:manifest
November 15, 2024 18:26 22s
refactor polymer.parameterize to run on individual monomer Build/upload sdist and wheel Package to PyPI #199: Pull request #243 opened by diogomart
November 14, 2024 19:25 25s diogomart:monomer_parameterize
diogomart:monomer_parameterize
November 14, 2024 19:25 25s
type aniline-like N in triazene as N, not NA Build/upload sdist and wheel Package to PyPI #198: Pull request #242 opened by diogomart
November 14, 2024 18:10 21s diogomart:triazene_N_not_NA
diogomart:triazene_N_not_NA
November 14, 2024 18:10 21s
add meeko/data/params/* to MANIFEST.in Build/upload sdist and wheel Package to PyPI #197: Pull request #241 opened by diogomart
November 14, 2024 00:42 25s pip_data_params
pip_data_params
November 14, 2024 00:42 25s
fix link to readthedocs, fix cli help msg Build/upload sdist and wheel Package to PyPI #196: Pull request #238 opened by diogomart
November 12, 2024 22:07 26s diogomart:fix-docs-links
diogomart:fix-docs-links
November 12, 2024 22:07 26s
v0.6.0 - polymers Build/upload sdist and wheel Package to PyPI #195: Release v0.6.0 published by diogomart
November 11, 2024 18:40 23s
November 11, 2024 18:40 23s
update offatom test to 0-based indexing Build/upload sdist and wheel Package to PyPI #194: Pull request #230 opened by diogomart
November 11, 2024 18:16 26s fix_offatom_test
fix_offatom_test
November 11, 2024 18:16 26s
Update docs Build/upload sdist and wheel Package to PyPI #193: Pull request #229 opened by diogomart
November 11, 2024 10:27 25s rtd-wip-lig
rtd-wip-lig
November 11, 2024 10:27 25s
Readthedocs Build/upload sdist and wheel Package to PyPI #192: Pull request #227 opened by diogomart
November 7, 2024 00:42 22s readthedocs
readthedocs
November 7, 2024 00:42 22s
Prep v0.6.0 Build/upload sdist and wheel Package to PyPI #191: Pull request #226 synchronize by diogomart
November 6, 2024 01:16 20s prep_v0.6.0
prep_v0.6.0
November 6, 2024 01:16 20s
Prep v0.6.0 Build/upload sdist and wheel Package to PyPI #190: Pull request #226 opened by diogomart
November 5, 2024 23:59 19s prep_v0.6.0
prep_v0.6.0
November 5, 2024 23:59 19s
fix importlib.resources.files for py3.9 (on mac?) Build/upload sdist and wheel Package to PyPI #189: Pull request #225 opened by diogomart
November 5, 2024 22:48 21s importlib_shenanigans
importlib_shenanigans
November 5, 2024 22:48 21s
Easy creation of ResidueChemTemplates Build/upload sdist and wheel Package to PyPI #188: Pull request #223 synchronize by rwxayheee
November 5, 2024 19:31 26s easy_load_res_templates
easy_load_res_templates
November 5, 2024 19:31 26s
Easy creation of ResidueChemTemplates Build/upload sdist and wheel Package to PyPI #187: Pull request #223 synchronize by rwxayheee
November 5, 2024 19:07 27s easy_load_res_templates
easy_load_res_templates
November 5, 2024 19:07 27s
Easy creation of ResidueChemTemplates Build/upload sdist and wheel Package to PyPI #186: Pull request #223 opened by diogomart
November 5, 2024 08:23 25s easy_load_res_templates
easy_load_res_templates
November 5, 2024 08:23 25s
R.I.P. Chorizo Build/upload sdist and wheel Package to PyPI #185: Pull request #222 opened by diogomart
November 4, 2024 18:37 27s rip_chorizo
rip_chorizo
November 4, 2024 18:37 27s