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Export sidechain full receptor Build/upload sdist and wheel Package to PyPI #113: Pull request #200 synchronize by diogomart
October 18, 2024 22:03 21s export_sidechain_full_receptor
export_sidechain_full_receptor
October 18, 2024 22:03 21s
Export sidechain full receptor Build/upload sdist and wheel Package to PyPI #112: Pull request #200 synchronize by diogomart
October 18, 2024 19:37 24s export_sidechain_full_receptor
export_sidechain_full_receptor
October 18, 2024 19:37 24s
Export sidechain full receptor Build/upload sdist and wheel Package to PyPI #111: Pull request #200 synchronize by diogomart
October 18, 2024 07:46 20s export_sidechain_full_receptor
export_sidechain_full_receptor
October 18, 2024 07:46 20s
Allow template fetching Build/upload sdist and wheel Package to PyPI #110: Pull request #204 opened by rwxayheee
October 17, 2024 23:15 19s rwxayheee:fetch_temp
rwxayheee:fetch_temp
October 17, 2024 23:15 19s
Update nucleotide templates, add NAKB_templates.json Build/upload sdist and wheel Package to PyPI #109: Pull request #203 synchronize by rwxayheee
October 17, 2024 19:50 24s rwxayheee:update_NA_templates
rwxayheee:update_NA_templates
October 17, 2024 19:50 24s
Update nucleotide templates, add NAKB_templates.json Build/upload sdist and wheel Package to PyPI #108: Pull request #203 opened by rwxayheee
October 17, 2024 00:52 23s rwxayheee:update_NA_templates
rwxayheee:update_NA_templates
October 17, 2024 00:52 23s
Export sidechain full receptor Build/upload sdist and wheel Package to PyPI #107: Pull request #200 synchronize by diogomart
October 16, 2024 02:05 20s export_sidechain_full_receptor
export_sidechain_full_receptor
October 16, 2024 02:05 20s
Export sidechain full receptor Build/upload sdist and wheel Package to PyPI #106: Pull request #200 opened by diogomart
October 15, 2024 21:26 25s export_sidechain_full_receptor
export_sidechain_full_receptor
October 15, 2024 21:26 25s
suppress rdkit reaction atom map warning in residue padder Build/upload sdist and wheel Package to PyPI #105: Pull request #198 opened by diogomart
October 15, 2024 06:18 19s supress_atom_map_rdkit_warning
supress_atom_map_rdkit_warning
October 15, 2024 06:18 19s
re-implement residue.is_flexres_atom, and minor fixes Build/upload sdist and wheel Package to PyPI #104: Pull request #197 opened by diogomart
October 15, 2024 02:52 22s is_flexres_atom
is_flexres_atom
October 15, 2024 02:52 22s
Beautify output of mk_prepare_receptor for some failures, rename allowed_altloc to default_altloc Build/upload sdist and wheel Package to PyPI #103: Pull request #194 synchronize by rwxayheee
October 14, 2024 20:07 19s cli_flags_output_design
cli_flags_output_design
October 14, 2024 20:07 19s
Beautify output of mk_prepare_receptor for some failures, rename allowed_altloc to default_altloc Build/upload sdist and wheel Package to PyPI #102: Pull request #194 synchronize by diogomart
October 14, 2024 18:30 25s cli_flags_output_design
cli_flags_output_design
October 14, 2024 18:30 25s
add help print to mk_prepare_receptor Build/upload sdist and wheel Package to PyPI #101: Pull request #193 opened by diogomart
October 12, 2024 18:44 26s cli_flags_output_design
cli_flags_output_design
October 12, 2024 18:44 26s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #100: Pull request #165 synchronize by diogomart
October 12, 2024 18:22 20s cli_flags_output_design
cli_flags_output_design
October 12, 2024 18:22 20s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #99: Pull request #165 synchronize by rwxayheee
October 12, 2024 05:23 19s cli_flags_output_design
cli_flags_output_design
October 12, 2024 05:23 19s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #98: Pull request #165 synchronize by rwxayheee
October 12, 2024 05:08 27s cli_flags_output_design
cli_flags_output_design
October 12, 2024 05:08 27s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #97: Pull request #165 synchronize by diogomart
October 12, 2024 02:16 23s cli_flags_output_design
cli_flags_output_design
October 12, 2024 02:16 23s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #96: Pull request #165 synchronize by diogomart
October 12, 2024 02:10 19s cli_flags_output_design
cli_flags_output_design
October 12, 2024 02:10 19s
fix typo in _aux_altloc_mol_build Build/upload sdist and wheel Package to PyPI #95: Pull request #191 synchronize by rwxayheee
October 12, 2024 02:10 19s rwxayheee:develop
rwxayheee:develop
October 12, 2024 02:10 19s
fix typo in _aux_altloc_mol_build Build/upload sdist and wheel Package to PyPI #94: Pull request #191 opened by rwxayheee
October 11, 2024 21:45 21s rwxayheee:develop
rwxayheee:develop
October 11, 2024 21:45 21s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #93: Pull request #165 synchronize by diogomart
October 11, 2024 17:25 24s cli_flags_output_design
cli_flags_output_design
October 11, 2024 17:25 24s
small fixes to guard against KeyError and UnboundLocalError Build/upload sdist and wheel Package to PyPI #92: Pull request #189 opened by rwxayheee
October 10, 2024 03:31 23s rwxayheee:develop
rwxayheee:develop
October 10, 2024 03:31 23s
create single rdkit mol from entire chorizo Build/upload sdist and wheel Package to PyPI #91: Pull request #188 opened by diogomart
October 9, 2024 18:12 30s stitch-chorizo
stitch-chorizo
October 9, 2024 18:12 30s
Alternate Locations Build/upload sdist and wheel Package to PyPI #90: Pull request #186 synchronize by rwxayheee
October 9, 2024 04:39 22s altloc
altloc
October 9, 2024 04:39 22s
Small fixes for ligand preparation Build/upload sdist and wheel Package to PyPI #89: Pull request #187 opened by rwxayheee
October 9, 2024 03:45 20s rwxayheee:ligprep
rwxayheee:ligprep
October 9, 2024 03:45 20s