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A repository that extracts the forcefield parameters using the raw article data fo UFF/Dreiding

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eren125/Forcefield_generation

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Purpose

A repository with scripts that extracts forcefield LJ values and put them into a force field mixing rules file (Raspa format) All sources are explicitly mentionned.

Software

https://github.com/tabulapdf/tabula-java It can be used to extract tables from pdf file (article)

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A repository that extracts the forcefield parameters using the raw article data fo UFF/Dreiding

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