csd-python-api-scripts / notebooks / CoRE-MOF / list_coremof_csd_unmodified_20250227.json bardwell-ccdc Initial check-in of CoRE-MOF notebook caf074a · last year ...

为解决核酸结构模型中价键几何验证标准陈旧、异常值过多的问题，研究团队重新评估了剑桥结构数据库（CSD）和蛋白质数据库（PDB）中高质量核酸结构的价键几何参数，提出了一个包含“优选”、“允许”和“需关注”三个等级的新型验证方案。该研究建立了 ...

来自加拿大多伦多大学以及加拿大国家研究委员会清洁能源创新研究中心的研究团队提出 MOF-ChemUnity：一个结构化、可扩展、可拓展的知识图谱。该方法利用 LLM 在文献中 MOF 名称及其同指代与 CSD 中登记的晶体结构之间建立可靠的一一映射，从而实现 MOF 名称及其 ...

Abstract: The canonic sign digit (CSD) number system is both a technique for representing fixed-point numbers and an algorithm for multiplying one fixed-point number by another. Through the addition ...

针对粉末X射线衍射（PXRD）晶体结构解析中数据集私有化、结构单一的技术瓶颈，Sergio Rincon等研究者开发了公开且结构多样的SIMPOD数据库。该数据集包含467,861个COD晶体结构及其模拟PXRD图谱与径向图像，通过计算机视觉模型实现了空间群预测准确率45.32%（Top 5达82. ...

If you want to search for crystal structures in the Cambridge Structural Database (CSD) to gain insights and understand trends programmatically then this free, 90-minute, hands-on workshop is for you!

Power BI is a business analytics service by Microsoft. It aims to provide interactive visualizations and business intelligence capabilities with an interface simple enough for end users to create ...

The CSD Python API is an advanced toolkit for carrying out in-depth searching and chemical analyses of the chemical data in the Cambridge Structural Database (CSD). It provides customizable ...

The CSD Python API is an advanced toolkit for carrying out in-depth searching and chemical analyses of the chemical data in the Cambridge Structural Database (CSD). It provides customizable ...