{"id":18676209,"url":"https://github.com/weisscharlesj/SciCompChem_Experimental","last_synced_at":"2025-11-07T06:30:29.284Z","repository":{"id":106961429,"uuid":"464223175","full_name":"weisscharlesj/SciCompChem_JupyterBook","owner":"weisscharlesj","description":"Scientific Computing for Chemists Jupyter Book","archived":false,"fork":false,"pushed_at":"2022-03-13T16:44:34.000Z","size":70898,"stargazers_count":1,"open_issues_count":0,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2024-12-27T20:43:38.582Z","etag":null,"topics":["book","chemistry","jupyter","jupyter-lab","matplot","nmrglue","numpy","pandas","python","scikit-image","scikit-learn","scipy","seaborn","textbook"],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/weisscharlesj.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"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":"2022-02-27T18:44:36.000Z","updated_at":"2022-03-18T11:08:17.000Z","dependencies_parsed_at":null,"dependency_job_id":"6db516a1-dbac-4015-b6be-921523328a1b","html_url":"https://github.com/weisscharlesj/SciCompChem_JupyterBook","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/weisscharlesj%2FSciCompChem_JupyterBook","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/weisscharlesj%2FSciCompChem_JupyterBook/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/weisscharlesj%2FSciCompChem_JupyterBook/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/weisscharlesj%2FSciCompChem_JupyterBook/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/weisscharlesj","download_url":"https://codeload.github.com/weisscharlesj/SciCompChem_JupyterBook/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":239520678,"owners_count":19652736,"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":["book","chemistry","jupyter","jupyter-lab","matplot","nmrglue","numpy","pandas","python","scikit-image","scikit-learn","scipy","seaborn","textbook"],"created_at":"2024-11-07T09:28:08.657Z","updated_at":"2025-11-07T06:30:29.246Z","avatar_url":"https://github.com/weisscharlesj.png","language":"Jupyter Notebook","readme":"# SciCompChem_JupyterBook\n\nThis book is an introductiont to computer programming for chemistry students and was origionally written for the course described in the below publications.\n\nThis book and all associated files are copyright © 2022 Charles J. Weiss and are released under under the [CC BY-NC-SA 4.0](https://creativecommons.org/licenses/by-nc-sa/4.0/) license.\n\n## Chapter Outline\n* Chapter 0: Python \u0026 Jupyter Notebooks\n* Chapter 1: Basic Python\n* Chapter 2: Intermediate Python\n* Chapter 3: Plotting with Matplotlib\n* Chapter 4: NumPy\n* Chapter 5: Pandas\n* Chapter 6: Signal \u0026 Noise\n* Chapter 7: Image Processing \u0026 Analysis\n* Chapter 8: Mathematics\n* Chapter 9: Simulations\n* Chapter 10: Plotting with Seaborn\n* Chapter 11: Nuclear Magnetic Resonance with NMRglue\n* Chapter 12: Machine Learning using Scikit-Learn\n* Chapter 13: Command Line \u0026 Spyder\n\n## Articles on Course and Textbook\n\nScientific Computing for Chemists: An Undergraduate Course in Simulations, Data Processing, and Visualization *J. Chem. Educ.* **2017,** 94, 592-597 [DOI: 10.1021/acs.jchemed.7b00078](http://dx.doi.org/10.1021/acs.jchemed.7b00078)  \n\nIntroduction to Stochastic Simulations for Chemical and Physical Processes: Principles and Applications *J. Chem. Educ.* **2017,** 94, 1904-1910 [DOI: 10.1021/acs.jchemed.7b00395](http://dx.doi.org/10.1021/acs.jchemed.7b00395)\n\nA Creative Commons Textbook for Teaching Scientific Computing to Chemistry Students with Python and Jupyter Notebooks *J. Chem. Educ.* **2021,** 98, 489-494 [DOI: 10.1021/acs.jchemed.0c01071](https://doi.org/10.1021/acs.jchemed.0c01071)\n","funding_links":[],"categories":[],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fweisscharlesj%2FSciCompChem_Experimental","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fweisscharlesj%2FSciCompChem_Experimental","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fweisscharlesj%2FSciCompChem_Experimental/lists"}