未登录 AtomDB: A Python Library and Database for Atomic and Promolecular Properties AtomDB: 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
PyCI: A Python-scriptable library for arbitrary determinant CI Richer, Michelle; Sanchez-Diaz, Gabriela; Martinez-Gonzalez, Marco; Chuiko, Valerii; Kim, Taewon David; Tehrani, Alireza; Wang, Shuoyang; Gaikwad, Pratiksha B.; de Moura, Carlos E. V.; Masschelein, Cassandra; Miranda-Quintana, Ramon Alain; Gerolin, Augusto; Heidar-Zadeh, Farnaz; Ayers, Paul W. 分享 收藏
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GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions Kim, 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 more Grid: 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
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IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files IOData: 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