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Bump actions/upload-artifact@v2 to v4 Build/upload sdist and wheel Package to PyPI #64: Pull request #177 opened by rwxayheee
September 28, 2024 00:17 19s rwxayheee:gitaction
rwxayheee:gitaction
September 28, 2024 00:17 19s
Add nucleic acid residues to residue_chem_templates.json Build/upload sdist and wheel Package to PyPI #63: Pull request #176 opened by rwxayheee
September 27, 2024 00:30 11s rwxayheee:update_chemtemp
rwxayheee:update_chemtemp
September 27, 2024 00:30 11s
make prody optional Build/upload sdist and wheel Package to PyPI #62: Pull request #174 synchronize by diogomart
September 26, 2024 22:11 13s optional_prody
optional_prody
September 26, 2024 22:11 13s
make prody optional Build/upload sdist and wheel Package to PyPI #61: Pull request #174 synchronize by rwxayheee
September 26, 2024 09:51 12s optional_prody
optional_prody
September 26, 2024 09:51 12s
remove unneeded code for prody to rdkit conversion Build/upload sdist and wheel Package to PyPI #60: Pull request #175 opened by diogomart
September 26, 2024 01:41 10s lightneted_prody_to_rdkit
lightneted_prody_to_rdkit
September 26, 2024 01:41 10s
make prody optional Build/upload sdist and wheel Package to PyPI #59: Pull request #174 opened by diogomart
September 25, 2024 19:59 10s optional_prody
optional_prody
September 25, 2024 19:59 10s
Small fix in prodyutils.py Build/upload sdist and wheel Package to PyPI #58: Pull request #173 opened by rwxayheee
September 25, 2024 19:31 12s rwxayheee:develop
rwxayheee:develop
September 25, 2024 19:31 12s
Minor edit to atom_name_to_molsetup_index; Support input in both ways: --macromol (ProDy) and --pdb (RDKit) Build/upload sdist and wheel Package to PyPI #57: Pull request #172 opened by rwxayheee
September 22, 2024 02:36 12s rwxayheee:develop
rwxayheee:develop
September 22, 2024 02:36 12s
Fix for PDBQT names with multimode_outdir Build/upload sdist and wheel Package to PyPI #56: Pull request #171 synchronize by rwxayheee
September 22, 2024 02:25 12s multimol_outdir_name_fix
multimol_outdir_name_fix
September 22, 2024 02:25 12s
Fix for PDBQT names with multimode_outdir Build/upload sdist and wheel Package to PyPI #55: Pull request #171 synchronize by rwxayheee
September 22, 2024 02:20 10s multimol_outdir_name_fix
multimol_outdir_name_fix
September 22, 2024 02:20 10s
Fix for PDBQT names with multimode_outdir Build/upload sdist and wheel Package to PyPI #54: Pull request #171 opened by althea-hansel
September 19, 2024 23:31 10s multimol_outdir_name_fix
multimol_outdir_name_fix
September 19, 2024 23:31 10s
remove dropped attribute from molsetup.show() Build/upload sdist and wheel Package to PyPI #53: Pull request #167 opened by diogomart
September 14, 2024 17:06 11s minor_fix_show_setup
minor_fix_show_setup
September 14, 2024 17:06 11s
mk_prepare_receptor output flags improvement Build/upload sdist and wheel Package to PyPI #52: Pull request #165 opened by diogomart
September 14, 2024 01:03 10s cli_flags_output_design
cli_flags_output_design
September 14, 2024 01:03 10s
update UniqAtomParams to refactored Molsetup Build/upload sdist and wheel Package to PyPI #51: Pull request #163 opened by diogomart
September 10, 2024 02:30 19s uniq_atom_params_update
uniq_atom_params_update
September 10, 2024 02:30 19s
rename mk_prepare_receptor.py arg --ligand to --box_enveloping Build/upload sdist and wheel Package to PyPI #50: Pull request #162 opened by diogomart
September 9, 2024 21:50 24s box_enveloping_arg
box_enveloping_arg
September 9, 2024 21:50 24s
Draft reactive sidechain Build/upload sdist and wheel Package to PyPI #49: Pull request #157 synchronize by rwxayheee
September 5, 2024 22:58 20s draft_reactive_sidechain
draft_reactive_sidechain
September 5, 2024 22:58 20s
Draft reactive sidechain Build/upload sdist and wheel Package to PyPI #48: Pull request #157 synchronize by diogomart
September 4, 2024 22:49 23s draft_reactive_sidechain
draft_reactive_sidechain
September 4, 2024 22:49 23s
Draft reactive sidechain Build/upload sdist and wheel Package to PyPI #47: Pull request #157 synchronize by rwxayheee
September 2, 2024 22:24 19s draft_reactive_sidechain
draft_reactive_sidechain
September 2, 2024 22:24 19s
Draft reactive sidechain Build/upload sdist and wheel Package to PyPI #46: Pull request #157 synchronize by rwxayheee
September 2, 2024 22:14 21s draft_reactive_sidechain
draft_reactive_sidechain
September 2, 2024 22:14 21s
Draft reactive sidechain Build/upload sdist and wheel Package to PyPI #45: Pull request #157 opened by diogomart
August 30, 2024 22:20 24s draft_reactive_sidechain
draft_reactive_sidechain
August 30, 2024 22:20 24s
Minimal Fixes for --reactive_flexres and --box_center_off_reactive_res Build/upload sdist and wheel Package to PyPI #44: Pull request #155 opened by rwxayheee
August 27, 2024 01:20 24s rwxayheee:develop
rwxayheee:develop
August 27, 2024 01:20 24s
update function to write PDB from chorizo, and fix a bug that ignored input H positions Build/upload sdist and wheel Package to PyPI #43: Pull request #154 synchronize by diogomart
August 26, 2024 22:45 20s chorizo_to_pdb
chorizo_to_pdb
August 26, 2024 22:45 20s
update function to write PDB from chorizo, and fix a bug that ignored input H positions Build/upload sdist and wheel Package to PyPI #42: Pull request #154 opened by diogomart
August 26, 2024 22:40 23s chorizo_to_pdb
chorizo_to_pdb
August 26, 2024 22:40 23s
Added option to put pdbqts into subdirectories Build/upload sdist and wheel Package to PyPI #41: Pull request #123 synchronize by diogomart
August 21, 2024 15:50 24s multimol_subdirs
multimol_subdirs
August 21, 2024 15:50 24s
Quick Fixes for Inconsistent Selection Formats in reactive_flexres and all_flexres Build/upload sdist and wheel Package to PyPI #40: Pull request #153 opened by rwxayheee
August 20, 2024 03:46 19s develop
develop
August 20, 2024 03:46 19s
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