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Cp2k Python Packages

Python packages with the GitHub topic cp2k. Sorted by relevance, with stars and monthly downloads.
cp2k
cp2k-input-tools

Fully validating pure-python CP2K input file tools including preprocessing capabilities

6K 59 15
cp2k
cp2k-output-tools

Python tools to handle CP2K output files

4K 50 19
superstar54
aiida-bader

Collections of node-based workflow created using aiida-workgraph.

4K 2 1
jxxcr
mdkits

kits for md or dft

1K 3 0
SINGROUP
pycp2k

Python Cp2k interface

741 103 32
nlesc-nano
cp2k-parser

A package for converting CP2K input files into PLAMS-compatible dictionaries.

353 3 1
minu928
cp2kbrew

Package for extracting the data from cp2k program, which was well known as tool for ab initio molecular dyanmics.

343 2 0
jxxcr
mdtool

kits for cp2k and abinit

288 3 0
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