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Topic: "atom-typing"

mosdef-hub/foyer

A package for atom-typing as well as applying and disseminating forcefields

Language: Python - Size: 31.6 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 128 - Forks: 78

nlesc-nano/MATCH

An unofficial redistribution of the Multipurpose Atom-Typer for CHARMM (MATCH) program

Language: Rich Text Format - Size: 1.48 MB - Last synced at: 3 months ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0