{ "info": { "author": "DRP Project", "author_email": "darkreactionproject@haverford.edu", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: MIT License", "Operating System :: OS Independent", "Programming Language :: Python :: 3" ], "description": "# recommendation_engine\nRepo for the recommendation engine that was part of the DRP project\n\n\n## Recommender Pipeline\n\nSteps to implement a recommender pipeline\n(Specific implementation of this pipeline is available in ./recommender/recommender_pipeline.py)\n\n1. Generate reaction features\n - Get the chemicals in a reaction. For DRP these are referred to as triples\n - Generate descriptors for each of the chemicals in the reaction\n - Generate a sampling grid of reaction parameters\n - Expand grid by associating descriptors with each point on the grid\n\n2. Run trained models with the reaction Sieve\n - Get a trained machine learning model\n - Filter sampling grid by running it through the ML model\n - Make a list of all the potentially successful reactions\n as predicted by the ML model\n\n3. Recommend reactions\n - Calculate the mutual information of the potential reactions\n as compared to the already completed reactions\n - Select the top 'k' reactions with the highest MI\n\n\n### Progress\n\n- [x] Generate Reaction features\n- [x] Reaction Sieve\n- [x] Reaction Recommender\n- [ ] Test and evaluate against Nature paper\n\n", "description_content_type": "text/markdown", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/darkreactions/recommendation_engine", "keywords": "", "license": "", "maintainer": "", "maintainer_email": "", "name": "chemrecommender", "package_url": "https://pypi.org/project/chemrecommender/", "platform": "", "project_url": "https://pypi.org/project/chemrecommender/", "project_urls": { "Homepage": "https://github.com/darkreactions/recommendation_engine" }, "release_url": "https://pypi.org/project/chemrecommender/0.0.1/", "requires_dist": [ "pandas", "chemdescriptor" ], "requires_python": "", "summary": "A standalone module to build a recommender pipeline", "version": "0.0.1" }, "last_serial": 5412046, "releases": { "0.0.1": [ { "comment_text": "", "digests": { "md5": "e8219ea771b5b6ae059b1bd9392390c1", "sha256": "601df78c8093a596c9973814bd8da2c4463d0dc23983de8eea31484961d31254" }, "downloads": -1, "filename": "chemrecommender-0.0.1.macosx-10.7-x86_64.tar.gz", "has_sig": false, "md5_digest": "e8219ea771b5b6ae059b1bd9392390c1", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 13708, "upload_time": "2019-06-17T20:26:29", "url": "https://files.pythonhosted.org/packages/a0/2d/6bcabcb7ea5db09b519ccc9fdce3e350786c063cf288d68e7216b255d69e/chemrecommender-0.0.1.macosx-10.7-x86_64.tar.gz" }, { "comment_text": "", "digests": { "md5": "8df1b2a7512e7b2f0924f8bc20ee8500", "sha256": "0b7e72d3c3bc53aeb1637f762e40956faa7fcc488a7dbd0f5671a21e63db3441" }, "downloads": -1, "filename": "chemrecommender-0.0.1-py3-none-any.whl", "has_sig": false, "md5_digest": "8df1b2a7512e7b2f0924f8bc20ee8500", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": null, "size": 8730, "upload_time": "2019-06-17T20:26:27", "url": "https://files.pythonhosted.org/packages/81/53/a4212de7ec04bfbe400cb2f0111955974e6e9c705e34dace6420131237e8/chemrecommender-0.0.1-py3-none-any.whl" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "e8219ea771b5b6ae059b1bd9392390c1", "sha256": "601df78c8093a596c9973814bd8da2c4463d0dc23983de8eea31484961d31254" }, "downloads": -1, "filename": "chemrecommender-0.0.1.macosx-10.7-x86_64.tar.gz", "has_sig": false, "md5_digest": "e8219ea771b5b6ae059b1bd9392390c1", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 13708, "upload_time": "2019-06-17T20:26:29", "url": "https://files.pythonhosted.org/packages/a0/2d/6bcabcb7ea5db09b519ccc9fdce3e350786c063cf288d68e7216b255d69e/chemrecommender-0.0.1.macosx-10.7-x86_64.tar.gz" }, { "comment_text": "", "digests": { "md5": "8df1b2a7512e7b2f0924f8bc20ee8500", "sha256": "0b7e72d3c3bc53aeb1637f762e40956faa7fcc488a7dbd0f5671a21e63db3441" }, "downloads": -1, "filename": "chemrecommender-0.0.1-py3-none-any.whl", "has_sig": false, "md5_digest": "8df1b2a7512e7b2f0924f8bc20ee8500", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": null, "size": 8730, "upload_time": "2019-06-17T20:26:27", "url": "https://files.pythonhosted.org/packages/81/53/a4212de7ec04bfbe400cb2f0111955974e6e9c705e34dace6420131237e8/chemrecommender-0.0.1-py3-none-any.whl" } ] }