Pitt Quantum Repository

PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.PQR乃一在线数据库，汇聚了基于量子力学预测的分子性质，并集成了分子可视化和数据共享的强大功能。就分子数量而言，PQR目前是最大的开放型分子量子计算数据库。该数据库具备交互式高品质的分子结构和性质渲染能力，适用于计算机、平板电脑和智能手机，并可通过数字对象标识符（DOI）和可扫描的二维码高效共享数据。