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Showing 3 open source projects for "stuff"
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Cookiecutter Data Science
Project structure for doing and sharing data science work
...It's no secret that good analyses are often the result of very scattershot and serendipitous explorations. Tentative experiments and rapidly testing approaches that might not work out are all part of the process for getting to the good stuff, and there is no magic bullet to turn data exploration into a simple, linear progression. -
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nwbas2ecce
nwbas2ecce converts nwchem basis set files to the ECCE format
...nwbas2ecce is a python script that aims to automate as much as possible of the conversion process of a nwchem basis set file into the files necessary for ECCE to included it in the basis set tool. The process isn't completely automatic, but I also believe that it shouldn't be to avoid stuff-ups -- however, the amount of manual editing is kept to a minimum. Note that these script are run in the terminal. The screenshot is of the basis set tool in ECCE, not this piece of software. -
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This is the public icram.de code repository filled with code/code-snippets and other useful stuff.
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