{"id":16872738,"url":"https://github.com/schneiderfelipe/scripts","last_synced_at":"2025-10-04T17:11:36.449Z","repository":{"id":104123409,"uuid":"233123143","full_name":"schneiderfelipe/scripts","owner":"schneiderfelipe","description":"A collection of scripts. Mostly computational chemistry.","archived":false,"fork":false,"pushed_at":"2024-05-14T22:31:29.000Z","size":52,"stargazers_count":8,"open_issues_count":0,"forks_count":0,"subscribers_count":0,"default_branch":"master","last_synced_at":"2025-09-20T02:42:53.219Z","etag":null,"topics":["bash-script","computational-chemistry","intrinsic-reaction-coordinate","nudged-elastic-band","orca-quantum-chemistry","python-script"],"latest_commit_sha":null,"homepage":"https://github.com/schneiderfelipe/scripts","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/schneiderfelipe.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}},"created_at":"2020-01-10T20:14:07.000Z","updated_at":"2024-11-06T05:26:25.000Z","dependencies_parsed_at":null,"dependency_job_id":"457bc5f2-aee8-4b4f-875d-2ba68acc38f1","html_url":"https://github.com/schneiderfelipe/scripts","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/schneiderfelipe/scripts","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/schneiderfelipe%2Fscripts","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/schneiderfelipe%2Fscripts/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/schneiderfelipe%2Fscripts/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/schneiderfelipe%2Fscripts/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/schneiderfelipe","download_url":"https://codeload.github.com/schneiderfelipe/scripts/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/schneiderfelipe%2Fscripts/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":278343086,"owners_count":25971400,"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","status":"online","status_checked_at":"2025-10-04T02:00:05.491Z","response_time":63,"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":["bash-script","computational-chemistry","intrinsic-reaction-coordinate","nudged-elastic-band","orca-quantum-chemistry","python-script"],"created_at":"2024-10-13T15:15:57.498Z","updated_at":"2025-10-04T17:11:36.383Z","avatar_url":"https://github.com/schneiderfelipe.png","language":"Python","readme":"# scripts\n\nA collection of scripts.\nMostly computational chemistry.\n\n## Installation\n\n```\ncd\ngit clone git@github.com:schneiderfelipe/scripts.git\n```\n\n(If you clone this repository not your home directory, please also run\nsomething like `cd; ln -s /path/to/scripts .`.)\n\nNow add the following lines to your `~/.bashrc` (or, if you use Zsh,\n`~/.zshrc`):\n\n```\nexport SCRIPTS=~/scripts\nsource $SCRIPTS/config_env.sh\n```\n\n## Scripts\n\n- `interact.py`\n- `irc.py`\n- `metadyn.py`\n- `rmsd.py`\n- `swing.py`\n- `wavejam.py`\n- `interp.py`\n- `itp.py`\n- `minimize.py`\n- `shuffle.py`\n- `uvvis.py`\n","funding_links":[],"categories":[],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fschneiderfelipe%2Fscripts","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fschneiderfelipe%2Fscripts","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fschneiderfelipe%2Fscripts/lists"}