{"id":19834730,"url":"https://github.com/zotko/clca-atom-mapper","last_synced_at":"2026-06-11T17:31:38.766Z","repository":{"id":201274836,"uuid":"148164101","full_name":"zotko/clca-atom-mapper","owner":"zotko","description":"Atom mapping script based on the CLCA algorithm.","archived":false,"fork":false,"pushed_at":"2025-03-31T10:32:26.000Z","size":15,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":0,"default_branch":"master","last_synced_at":"2025-11-22T17:18:37.373Z","etag":null,"topics":[],"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/zotko.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,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2018-09-10T14:00:04.000Z","updated_at":"2025-03-31T10:32:30.000Z","dependencies_parsed_at":"2024-03-28T16:09:07.053Z","dependency_job_id":null,"html_url":"https://github.com/zotko/clca-atom-mapper","commit_stats":null,"previous_names":["zotko/clca-atom-mapper"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/zotko/clca-atom-mapper","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zotko%2Fclca-atom-mapper","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zotko%2Fclca-atom-mapper/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zotko%2Fclca-atom-mapper/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zotko%2Fclca-atom-mapper/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/zotko","download_url":"https://codeload.github.com/zotko/clca-atom-mapper/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/zotko%2Fclca-atom-mapper/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":34211061,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-05-26T15:22:16.424Z","status":"online","status_checked_at":"2026-06-11T02:00:06.485Z","response_time":57,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"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":[],"created_at":"2024-11-12T12:05:30.278Z","updated_at":"2026-06-11T17:31:38.746Z","avatar_url":"https://github.com/zotko.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# CLCA Atom Mapper\nThe Canonical Labeling for Clique Approximation (CLCA) algorithm is an extended-connectivity atom mapping algorithm developed by [Kumar et al](https://pubs.acs.org/doi/10.1021/ci5003922). CLCA uses prime number factorisation to generate canonical labels for atoms.\n\nThis implementation is the result of my master's thesis at Goethe University Frankfurt. The thesis can be found [here](https://zotko.github.io/a-star-atom-mapper/master_thesis.pdf).\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fzotko%2Fclca-atom-mapper","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fzotko%2Fclca-atom-mapper","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fzotko%2Fclca-atom-mapper/lists"}