未登录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 .png)
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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 分享 收藏 分享 收藏 Grid-Based Algorithm to Search Critical Points, in the Electron Density, Accelerated by Graphics Processing UnitsHernandez-Esparza, Raymundo; Mejia-Chica, Sol-Milena; Zapata-Escobar, Andy D.; Guevara-Garcia, Alfredo; Martinez-Melchor, Apolinar; Hernandez-Perez, Julio-M.; Vargas, Rubicelia; Garza, Jorge 分享 收藏 
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