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feat: merge_these_atom_params Python application #63: Pull request #469 opened by diogomart
32s merge_these_atom_params
merge_these_atom_params
32s
feat: merge_these_atom_params Build/upload sdist and wheel Package to PyPI #530: Pull request #469 opened by diogomart
21s merge_these_atom_params
merge_these_atom_params
21s
Claude's refactor Python application #62: Pull request #467 opened by diogomart
30s refactoring
refactoring
30s
Claude's refactor Build/upload sdist and wheel Package to PyPI #529: Pull request #467 opened by diogomart
20s refactoring
refactoring
20s
Merge pull request #466 from diogomart/crippen_as_solpar Python application #61: Commit 9d1a137 pushed by atillack
34s develop
develop
34s
feat: crippen values as solvation parameters Build/upload sdist and wheel Package to PyPI #528: Pull request #466 opened by diogomart
20s diogomart:crippen_as_solpar
diogomart:crippen_as_solpar
20s
feat: crippen values as solvation parameters Python application #60: Pull request #466 opened by diogomart
33s diogomart:crippen_as_solpar
diogomart:crippen_as_solpar
33s
Merge pull request #465 from diogomart/multi_group_add_atom_types Python application #59: Commit 9baf16d pushed by atillack
32s develop
develop
32s
fix: support add_atom_types with multiple groups in load_atom_params Build/upload sdist and wheel Package to PyPI #527: Pull request #465 opened by diogomart
21s diogomart:multi_group_add_atom_types
diogomart:multi_group_add_atom_types
21s
fix: support add_atom_types with multiple groups in load_atom_params Python application #58: Pull request #465 opened by diogomart
39s diogomart:multi_group_add_atom_types
diogomart:multi_group_add_atom_types
39s
fix: support add_atom_types with multiple groups in load_atom_params Build/upload sdist and wheel Package to PyPI #526: Pull request #465 opened by diogomart
20s diogomart:multi_group_add_atom_types
diogomart:multi_group_add_atom_types
20s
fix: support add_atom_types with multiple groups in load_atom_params Python application #57: Pull request #465 opened by diogomart
28s diogomart:multi_group_add_atom_types
diogomart:multi_group_add_atom_types
28s
fix: support add_atom_types with multiple groups in load_atom_params Build/upload sdist and wheel Package to PyPI #525: Pull request #465 opened by diogomart
23s diogomart:multi_group_add_atom_types
diogomart:multi_group_add_atom_types
23s
fix: support add_atom_types with multiple groups in load_atom_params Python application #56: Pull request #465 opened by diogomart
34s diogomart:multi_group_add_atom_types
diogomart:multi_group_add_atom_types
34s
Merge pull request #464 from diogomart/add_templates_help_msg Python application #55: Commit 391494a pushed by allisonbarkdull
30s develop
develop
30s
better help message for mk_prepare_receptor.py --add_templates Python application #54: Pull request #464 opened by diogomart
30s diogomart:add_templates_help_msg
diogomart:add_templates_help_msg
30s
better help message for mk_prepare_receptor.py --add_templates Build/upload sdist and wheel Package to PyPI #524: Pull request #464 opened by diogomart
21s diogomart:add_templates_help_msg
diogomart:add_templates_help_msg
21s
Merge pull request #463 from diogomart/copper Python application #53: Commit f0c2f42 pushed by diogomart
29s develop
develop
29s
fix: set covalent radious of Cu and K to zero Build/upload sdist and wheel Package to PyPI #523: Pull request #463 opened by diogomart
18s diogomart:copper
diogomart:copper
18s
fix: set covalent radious of Cu and K to zero Python application #52: Pull request #463 opened by diogomart
28s diogomart:copper
diogomart:copper
28s
Merge pull request #462 from forlilab/copper Python application #51: Commit c7b9bd1 pushed by diogomart
30s develop
develop
30s
feat: add copper (CU) to residue templates Python application #50: Pull request #462 opened by diogomart
28s copper
copper
28s
feat: add copper (CU) to residue templates Build/upload sdist and wheel Package to PyPI #522: Pull request #462 opened by diogomart
20s copper
copper
20s
Merge pull request #460 from diogomart/consolidate_gasteiger_into_ad4… Python application #49: Commit 09e3e4d pushed by atillack
35s develop
develop
35s
feat: exclude parameters in UniqAtomParams Build/upload sdist and wheel Package to PyPI #521: Pull request #460 opened by diogomart
20s diogomart:consolidate_gasteiger_into_ad4sol_par
diogomart:consolidate_gasteiger_into_ad4sol_par
20s