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force-field

Here are 4 public repositories matching this topic...

BALL-Project / ball

The Biochemical Algorithms Library

c-plus-plus structural-biology computational-biology force-field chemoinformatics drug-design

Updated May 24, 2022
C++

locuoco / molecular_dynamics

A 3D interactive program for molecular dynamics

opengl simulation molecular-dynamics molecular-dynamics-simulation graphics-programming thread-pool force-field ewald-summation physics-simulation lennard-jones nose-hoover pppm

Updated Sep 9, 2023
C++

sungkwang / MEAM-BO

Modified Embedded Atom Method with Bond Order (MEAM-BO) implementation in LAMMPS

simulation molecular-dynamics lammps force-field interatomic-potentials

Updated Oct 3, 2019
C++

mesonepigreco / MINNIE

ab Initio Neural Network Interatomic Engine

neural-network force-field ab-initio

Updated May 21, 2022
C++

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