{"id":27383112,"url":"https://github.com/jmwoll/isocalc","last_synced_at":"2025-10-17T11:50:40.454Z","repository":{"id":201339383,"uuid":"121868115","full_name":"jmwoll/isocalc","owner":"jmwoll","description":"Python isotopic pattern calculator library","archived":false,"fork":false,"pushed_at":"2018-02-17T16:22:18.000Z","size":46,"stargazers_count":4,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2023-10-19T19:00:31.730Z","etag":null,"topics":["chemistry","isotope","isotopic-patterns","mass-spectrometry","plot"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/jmwoll.png","metadata":{"files":{"readme":"README.md","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}},"created_at":"2018-02-17T15:49:53.000Z","updated_at":"2023-10-19T19:24:55.658Z","dependencies_parsed_at":null,"dependency_job_id":"5a11b8f3-dc6c-47a0-b9cb-682246a352ed","html_url":"https://github.com/jmwoll/isocalc","commit_stats":null,"previous_names":["jmwoll/isocalc"],"tags_count":null,"template":null,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jmwoll%2Fisocalc","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jmwoll%2Fisocalc/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jmwoll%2Fisocalc/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jmwoll%2Fisocalc/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/jmwoll","download_url":"https://codeload.github.com/jmwoll/isocalc/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248736971,"owners_count":21153682,"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","isotope","isotopic-patterns","mass-spectrometry","plot"],"created_at":"2025-04-13T15:35:08.011Z","updated_at":"2025-10-17T11:50:40.365Z","avatar_url":"https://github.com/jmwoll.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"With isocalc, isotopic patterns can be calculated\nfrom python. It is not accurate (e.g. not considering electrons),\nand very inefficient, but still sometimes useful for quickly screening\nisotopic patterns and for teaching. For example, the code\n```\nfrom isocalc import isocalc\nisocalc.plot_isotope_distribution(\"C1\")\n```\nwill result in the following plot:\n\n![Example Isotopic Pattern.](https://github.com/jmwoll/isocalc/blob/master/doc/isocalc_example_c.png)\n\nWhile the following code:\n```\nfrom isocalc import isocalc\nisocalc.plot_isotope_distribution(\"C1Br4\")\n```\nwill result in the following plot with several isotopic peaks:\n\n![Example Isotopic Pattern.](https://github.com/jmwoll/isocalc/blob/master/doc/isocalc_example_cbr4.png)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjmwoll%2Fisocalc","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fjmwoll%2Fisocalc","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjmwoll%2Fisocalc/lists"}