marrink-lab

marrink-lab/vermouth-martinize

Describe and apply transformation on molecular structures and topologies

119 stars 51 forks 119 watchers Python Apache License 2.0

hacktoberfest molecular-dynamics

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sanitise ff files 2 months ago

help wanted easy data

marrink-lab/vermouth-martinize

119

Describe and apply transformation on molecular structures and topologies

Python

#hacktoberfest#molecular-dynamics