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收藏分享 收藏 AtomDB: A Python Library and Database for Atomic and Promolecular PropertiesAtomDB: 一个用于原子和拟分子性质的Python库和数据库
Diaz, Gabriela Sanchez; Richer, Michelle; Gonzalez, Marco Martinez; van Zyl, Maximilian; Pujal, Leila; Tehrani, Alireza; Bianchi, Julianna; Chuiko, Valerii; Erhard, Jannis; Meng, Fanwang; Ayers, Paul W. 分享 收藏 分享 收藏 GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functionsKim, Taewon David; Pujal, Leila; Richer, Michelle; van Zyl, Maximilian; Martinez-Gonzalez, Marco; Tehrani, Alireza; Chuiko, Valerii; Sanchez-Diaz, Gabriela; Sanchez, Wesley; Adams, William; Huang, Xiaomin; Kelly, Braden D.; Vohringer-Martinez, Esteban; Verstraelen, Toon; Heidar-Zadeh, Farnaz; Ayers, Paul W. 分享 收藏 Grid : A Python library for molecular integration, interpolation, differentiation, and moreGrid: 用于分子整合、插值、微分等的Python库Tehrani, Alireza; Yang, Xiaotian Derrick; Martinez-Gonzalez, Marco; Pujal, Leila; Hernandez-Esparza, Raymundo; Chan, Matthew; Vohringer-Martinez, Esteban; Verstraelen, Toon; Ayers, Paul W.; Heidar-Zadeh, Farnaz 分享 收藏 分享 收藏 The Energetic Origins of Pi-Pi Contacts in ProteinsCarter-Fenk, Kevin; Liu, Meili; Pujal, Leila; Loipersberger, Matthias; Tsanai, Maria; Vernon, Robert M.; Forman-Kay, Julie D.; Head-Gordon, Martin; Heidar-Zadeh, Farnaz; Head-Gordon, Teresa 分享 收藏 分享 收藏 IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input filesIOData: 一个python库，用于读取、写入和转换计算化学文件格式并生成输入文件Verstraelen, Toon; Adams, William; Pujal, Leila; Tehrani, Alireza; Kelly, Braden D.; Macaya, Luis; Meng, Fanwang; Richer, Michael; Hernandez-Esparza, Raymundo; Yang, Xiaotian Derrick; Chan, Matthew; Kim, Taewon David; Cools-Ceuppens, Maarten; Chuiko, Valerii; Vohringer-Martinez, Esteban; Ayers, Paul W.; Heidar-Zadeh, Farnaz 分享 收藏 
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