Which programming language should you learn in computational chemistry? |
Автор: Science Addicted
Загружено: 2021-03-16
Просмотров: 17433
Описание:
If you want to tip your toes or master computational chemistry with programming, #Bash offers great tools for file manipulations, automation, data wrangling, searching and manipulating files based on specific patterns using regex, grep, sed, or awk. #Python is a great choice for a wide range of scientific applications from machine learning and natural language processing to typical #cheminformatics tasks like chemical structure search and retrieval, virtual compound screening and molecular property prediction. #RDKit and #biopython, just being two of the many python tools ready to help you. Generally if your main interest is in processing data, statistical analysis, modeling data and visualization another great option is R Programming.
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