chrismacdermaid

LJMD-LAMMPS

A stripped down version of LAMMPS that does simple LJ molecular dynamics for single atom types

.vmd.d

VMD configuration files

vbox

ICTP-LAMMPS-2014

Files necessary for LAMMPS/VMD Visualization

atomselectextra

rep2sel

Create some synergy between vmd's representations and selections

alphafold

Open source code for AlphaFold.

ascii-emoji

Essential Emoji

ccb

Coiled-Coil Builder

CircumCircle

CircumCircleServer

colvars

Collective variables module for molecular simulation programs

CyLP

A Python interface to CLP, CBC, and CGL to solve LPs and MIPs.

dbtools

Tools for dendrimer construction

dendrimer_analysis

Analysis Scripts for Dendrimer MD simulations

free-programming-books

:books: Freely available programming books

libtm

Custom TCL Math Library

ljmd-f

Lennard-Jones MD code in Fortran for teaching purposes

loop_modeling

A loop modeling benchmark capture containing the benchmark dataset and benchmarked protocol captures.

ood-example-flask-app

An example OnDemand application using Python and Flask

pandas

Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more

prezto

The configuration framework for Zsh

realpath

realpath as provided on Stack Overflow - not written by me!

singularity_base

srun.x11

X11 forwarding for SLURM

zfs_autobackup

ZFS autobackup is used to periodicly backup ZFS filesystems to other locations. Easy to use and the most reliable.