{"repo":"Chung-Research-Group/MOFClassifier","free":true,"listed":false,"github":"https://github.com/Chung-Research-Group/MOFClassifier","clone":"git clone https://github.com/Chung-Research-Group/MOFClassifier.git","description":null,"language":"Python","stars":15,"topics":["cgcnn","crystallography","database","disorder-prediction","metal-organic-frameworks","positive-unlabeled-learning"],"license":"CC-BY-4.0","category":"databases-storage","readme_excerpt":"MOFClassifier: A Machine Learning Approach for Validating Computation-Ready Metal-Organic Frameworks Developed by: Guobin Zhao Installation Examples - root cif : the path of your structure - model : the model name: a. \"core\": training with CoRE MOF DB; b. \"qsp\": training with CoRE MOF DB and QMOF DB; c. \"h\": training with ToBaCCo (Hypothetical MOFs) - result : a. cifid: the name of structure; b. all score: the CLscore predicted by 100 models (bags); c. mean score: the mean CLscore of CLscores - root cifs : the path of your structures - model : the model name: a. \"core\": training with CoRE MOF DB; b. \"qsp\": training with CoRE MOF DB and QMOF DB; c. \"h\": training with ToBaCCo (Hypothetical MOFs) - batch size : the number of samples - results : a. cifid: the name of structure; b. all score: the CLscore predicted by 100 models (bags); c. mean score: the mean CLscore of CLscores Citation Guobin Zhao, Pengyu Zhao and Yongchul G. Chung. Journal of the American Chemical Society , 2025, 147, 37, 33343–33349. DOI: 10.1021/jacs.5c10126 Acknowledgments We thank henk789 for contribution to batch prediction.","default_branch":null,"files":null,"tree":[],"storefront":"/r/Chung-Research-Group","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/Chung-Research-Group/MOFClassifier/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}