{"id":40129515,"url":"https://github.com/berquist/ipython_notebooks_for_qc","last_synced_at":"2026-01-19T13:31:44.752Z","repository":{"id":32858656,"uuid":"36452424","full_name":"berquist/ipython_notebooks_for_qc","owner":"berquist","description":"Jupyter notebooks for quantum chemistry.","archived":false,"fork":false,"pushed_at":"2015-09-10T19:43:22.000Z","size":520,"stargazers_count":1,"open_issues_count":0,"forks_count":1,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-10-27T19:41:02.595Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"","language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mpl-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/berquist.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.txt","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null}},"created_at":"2015-05-28T16:45:12.000Z","updated_at":"2024-02-28T23:43:22.000Z","dependencies_parsed_at":"2022-09-12T01:00:16.860Z","dependency_job_id":null,"html_url":"https://github.com/berquist/ipython_notebooks_for_qc","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/berquist/ipython_notebooks_for_qc","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/berquist%2Fipython_notebooks_for_qc","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/berquist%2Fipython_notebooks_for_qc/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/berquist%2Fipython_notebooks_for_qc/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/berquist%2Fipython_notebooks_for_qc/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/berquist","download_url":"https://codeload.github.com/berquist/ipython_notebooks_for_qc/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/berquist%2Fipython_notebooks_for_qc/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":28569195,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-01-19T12:50:50.164Z","status":"ssl_error","status_checked_at":"2026-01-19T12:50:42.704Z","response_time":67,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.5:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"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":"2026-01-19T13:31:44.685Z","updated_at":"2026-01-19T13:31:44.740Z","avatar_url":"https://github.com/berquist.png","language":null,"funding_links":[],"categories":[],"sub_categories":[],"readme":"# Jupyter notebooks for quantum chemistry\n\nPython is used quite a bit in quantum chemistry for analysis and even\n[method development](http://rpmuller.github.io/), but there are few\nresources for discovery. These are Jupyter notebooks that work through\nexamples of how Python is used in quantum chemistry.\n\nIf you're wondering what order these should be worked through, here's\nthe current assumed path:\n\n* Reading QM outputs\n* Using cclib\n* Plotting\n* Frequency Calculations\n\nCurrently, this is only tested using Python 3.4.\n\nIf there's something you'd like to see, send me a pull request or add an issue!\n\n[![License](http://img.shields.io/badge/license-MPLv2.0-blue.svg?style=flat)](https://github.com/berquist/ipython_notebooks_for_qc/blob/master/LICENSE.txt)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fberquist%2Fipython_notebooks_for_qc","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fberquist%2Fipython_notebooks_for_qc","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fberquist%2Fipython_notebooks_for_qc/lists"}