mkanski

vimrc

The ultimate Vim configuration (vimrc)

trax

Trax — Deep Learning with Clear Code and Speed

awesome-plotters

A curated list of code and resources for computer-controlled drawing machines and other visual art robots.

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

ltfs

Reference implementation of the LTFS format Spec for stand alone tape drive

openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

loos

LOOS: a lightweight object-oriented structure analysis library

nvml_fix

A workaround for an annoying bug in nVidia's NVML library. Allows nvidia-smi to work once more!

ppafm

Classical force field model for simulating atomic force microscopy images.

atomify

Real time molecular dynamics in the browser using LAMMPS

topotools

VMD plugin for manipulating topology information

GauXC

GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.

vipster

Visualization and editing of periodic molecular structure files.

USER-EPH

LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.

Jellyfish

learning

Learning Molecular Dynamics with LAMMPS

TREKIS-3

TREKIS-3: Time-Resolved Electron Kinetics in SHI-Irradiated Solids

LAMMPS-hacks-public

EChemDID and various USER packages for LAMMPS.

vmd-packaging-instructions

Instructions for how to package VMD for Ubuntu and not pull your hair out in the process.

jibal

Jyväskylä Ion Beam Analysis Library (JIBAL)

MEAM-BO

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

XTANT-3_coupling_data

Two-temperature model (TTM) parameters (G, Ce, K) calculated with XTANT-3