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GitHub topics: ambermd

Python interface of cpptraj

Language: Jupyter Notebook - Size: 526 MB - Last synced: 13 days ago - Pushed: 4 months ago - Stars: 159 - Forks: 38

OFFICIAL: AnteChamber PYthon Parser interfacE

Language: Python - Size: 287 MB - Last synced: 24 days ago - Pushed: 25 days ago - Stars: 169 - Forks: 45

A python package for computer-aid drug design.

Language: Python - Size: 8.11 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 27 - Forks: 8

Language: Shell - Size: 10.7 KB - Last synced: 4 months ago - Pushed: over 4 years ago - Stars: 1 - Forks: 1

Real time monitoring and visualization of Amber MD simulations

Language: Python - Size: 1.37 MB - Last synced: about 2 months ago - Pushed: over 4 years ago - Stars: 15 - Forks: 5

a force field optimization tool

Language: C++ - Size: 448 KB - Last synced: about 2 months ago - Pushed: over 6 years ago - Stars: 3 - Forks: 0

Stochastic Global Multi-Variable Multi-Objective Optimization

Size: 14.6 KB - Last synced: about 1 year ago - Pushed: about 2 years ago - Stars: 0 - Forks: 0

Amber force field parameters (based on ff99) for tRNAs

Size: 30.3 KB - Last synced: about 1 year ago - Pushed: almost 7 years ago - Stars: 0 - Forks: 1

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