{"id":27261448,"url":"https://github.com/drreetusharma/molview3d","last_synced_at":"2025-04-11T05:33:20.271Z","repository":{"id":287242658,"uuid":"964078962","full_name":"DrReetuSharma/molview3d","owner":"DrReetuSharma","description":"3D visualization of molecular structures.","archived":false,"fork":false,"pushed_at":"2025-04-10T17:14:39.000Z","size":416,"stargazers_count":1,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-04-10T18:50:37.071Z","etag":null,"topics":["ai","graph","matplotlib-pyplot","python","seaborn"],"latest_commit_sha":null,"homepage":"https://aspire10x.com/","language":"HTML","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/DrReetuSharma.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,"zenodo":null}},"created_at":"2025-04-10T16:51:47.000Z","updated_at":"2025-04-10T17:43:53.000Z","dependencies_parsed_at":"2025-04-11T05:33:03.220Z","dependency_job_id":null,"html_url":"https://github.com/DrReetuSharma/molview3d","commit_stats":null,"previous_names":["drreetusharma/molview3d"],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DrReetuSharma%2Fmolview3d","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DrReetuSharma%2Fmolview3d/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DrReetuSharma%2Fmolview3d/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/DrReetuSharma%2Fmolview3d/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/DrReetuSharma","download_url":"https://codeload.github.com/DrReetuSharma/molview3d/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248347778,"owners_count":21088740,"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":["ai","graph","matplotlib-pyplot","python","seaborn"],"created_at":"2025-04-11T05:31:44.700Z","updated_at":"2025-04-11T05:33:20.253Z","avatar_url":"https://github.com/DrReetuSharma.png","language":"HTML","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003c!DOCTYPE html\u003e\n\u003chtml lang=\"en\"\u003e\n\u003chead\u003e\n    \u003cmeta charset=\"UTF-8\"\u003e\n    \u003cmeta name=\"viewport\" content=\"width=device-width, initial-scale=1.0\"\u003e\n    \u003ctitle\u003eDocumentation - ChemGraphX\u003c/title\u003e\n    \u003clink rel=\"stylesheet\" href=\"/static/style.css\"\u003e\n    \u003cstyle\u003e\n        body {\n            font-family: Arial, sans-serif;\n            margin: 0;\n            padding: 0;\n            background-color: #f4f4f9;\n        }\n        .container {\n            max-width: 800px;\n            margin: 50px auto;\n            padding: 20px;\n            background-color: white;\n            border-radius: 10px;\n            box-shadow: 0px 0px 15px rgba(0, 0, 0, 0.1);\n        }\n        h1, h2, h3 {\n            text-align: center;\n            color: #333;\n        }\n        p {\n            font-size: 16px;\n            line-height: 1.5;\n            color: #555;\n        }\n        .btn-container {\n            text-align: center;\n            margin-top: 30px;\n        }\n        .btn {\n            background-color: #28a745;\n            color: white;\n            padding: 10px 20px;\n            text-decoration: none;\n            border-radius: 5px;\n            font-size: 16px;\n            transition: background-color 0.3s ease;\n        }\n        .btn:hover {\n            background-color: #218838;\n        }\n    \u003c/style\u003e\n\u003c/head\u003e\n\u003cbody\u003e\n    \u003cdiv class=\"container\"\u003e\n        \u003ch1\u003eChemGraphX\u003c/h1\u003e\n        \u003ch2\u003eReal-Time Molecular Property Analysis and Visualization\u003c/h2\u003e\n        \n        \u003cp\u003eWelcome to ChemGraphX, a powerful tool for visualizing and analyzing molecular properties in real time. This platform allows users to upload molecular data (in SMILES format) and generate multiple plots based on selected properties such as molecular weight, LogP, hydrogen bond donors, and acceptors. You can view scatter plots, bar charts, and line graphs, and even download the results for further analysis.\u003c/p\u003e\n\n        \u003ch3\u003eHow to Use ChemGraphX:\u003c/h3\u003e\n        \u003col\u003e\n            \u003cli\u003eOn the home page, upload a CSV file containing molecular IDs (first column) and SMILES (second column) data. Ensure the file contains the columns \u003ccode\u003eid\u003c/code\u003e and \u003ccode\u003eSMILES\u003c/code\u003e.\u003c/li\u003e\n            \u003cli\u003eSelect the molecular properties you'd like to analyze. These will be used to generate plots (for example, MolecularWeight vs LogP).\u003c/li\u003e\n            \u003cli\u003eClick on the \"Generate Plots\" button to visualize the data in various formats (scatter, bar, and line charts).\u003c/li\u003e\n            \u003cli\u003eOnce the plots are generated, you can download the plots and the results CSV file for further use.\u003c/li\u003e\n        \u003c/ol\u003e\n\n        \u003ch3\u003eDownload Results:\u003c/h3\u003e\n        \u003cp\u003eOnce the calculations are complete, you can download the CSV file that contains the calculated molecular properties and the generated plots. 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