{"id":15023308,"url":"https://github.com/lukasturcani/vabene","last_synced_at":"2025-10-27T12:32:06.507Z","repository":{"id":62586949,"uuid":"255593544","full_name":"lukasturcani/vabene","owner":"lukasturcani","description":"Make valid molecular graphs!","archived":false,"fork":false,"pushed_at":"2024-03-08T16:38:27.000Z","size":73,"stargazers_count":22,"open_issues_count":0,"forks_count":4,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-02-01T05:41:11.304Z","etag":null,"topics":["chemistry","molecule","molecule-builder"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/lukasturcani.png","metadata":{"files":{"readme":"readme.rst","changelog":null,"contributing":null,"funding":null,"license":"license","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2020-04-14T11:43:22.000Z","updated_at":"2024-07-23T04:44:34.000Z","dependencies_parsed_at":"2024-09-18T23:31:04.425Z","dependency_job_id":null,"html_url":"https://github.com/lukasturcani/vabene","commit_stats":{"total_commits":98,"total_committers":1,"mean_commits":98.0,"dds":0.0,"last_synced_commit":"e69ffe8d8509b5ff775a8c31528f53c09d6bab7c"},"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lukasturcani%2Fvabene","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lukasturcani%2Fvabene/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lukasturcani%2Fvabene/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lukasturcani%2Fvabene/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/lukasturcani","download_url":"https://codeload.github.com/lukasturcani/vabene/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":238497545,"owners_count":19482272,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["chemistry","molecule","molecule-builder"],"created_at":"2024-09-24T19:58:56.061Z","updated_at":"2025-10-27T12:32:01.076Z","avatar_url":"https://github.com/lukasturcani.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":":Author: Lukas Turcani\n:Documentation: https://vabene.readthedocs.io\n\n.. image:: https://i.imgur.com/ifNvkO4.jpg\n\nVabene\n======\n\n.. image:: https://travis-ci.com/lukasturcani/vabene.svg?branch=master\n    :target: https://travis-ci.com/github/lukasturcani/vabene\n\n.. image:: https://readthedocs.org/projects/vabene/badge/?version=latest\n    :target: https://vabene.readthedocs.io\n\n.. image:: https://img.shields.io/lgtm/grade/python/g/lukasturcani/vabene.svg?logo=lgtm\u0026logoWidth=18)\n    :target: https://lgtm.com/projects/g/lukasturcani/vabene\n\n----\n\n``vabene`` is a Python library for creating molecular graphs, which\nobey user-defined valence restrictions. You can install it with::\n\n    pip install vabene\n\n\nSimple Example\n---------------\n\nThis is a quick demonstration of the API, look at the docs for more\ndetailed examples\n\n.. code-block:: python\n\n    import vabene as vb\n\n    atom_factory = vb.RandomAtomFactory(\n        # The atoms, which are randomly picked for use in our molecular\n        # graph. Each atom can be picked multiple times.\n        # vb.Atom(atomic_number, charge, max_valence)\n        atoms=(vb.Atom(6, 0, 4), vb.Atom(7, 0, 3)),\n        # The total number of atoms the factory will produce.\n        num_atoms=10,\n    )\n    # The atoms our molecular graph will use.\n    atoms = tuple(atom_factory.get_atoms())\n\n    # Used to generate a random set of bonds for our atoms.\n    bond_factory = vb.RandomBondFactory()\n    bonds = bond_factory.get_bonds(atoms)\n\n    # Our molecular graph.\n    molecule = vb.Molecule(atoms, bonds)\n\n----\n\nOther atom and bond factories will be added in the future. For example,\nfactories which can be used to produce an exhaustive set of possible\nmolecular graphs, which fulfill user-defined restrictions.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Flukasturcani%2Fvabene","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Flukasturcani%2Fvabene","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Flukasturcani%2Fvabene/lists"}