Sufyan M. Shaikh's repositories
generate_sqs
Generate Special Quasirandom Structures using ATAT framework and Atomsk.
sqs2poscar
A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
sufyanshk.github.io
Personal webpage
awesome-materials-informatics
Curated list of known efforts in materials informatics
BaderPostProcess
Post processing of Bader charge files.
BestPractices
Things that you should (and should not) do in your Materials Informatics research.
Citrine_ML_tut
ML tutorials from Citrine (http://www.citrine.io/blog/?offset=1434641580000)
flux_scripts
VASP Flux structure relaxation files.
github-demo
A simple demo repository to show the basic Git workflow.
matminer_examples
A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
rdfpy
rdfpy is a Python module for fast computation of 2D and 3D radial distribution functions.
RLD
Root-mean-squared lattice distortion
VASP-ScriptsnShit
Some VASP processing and convergence-testing shell scripts.
vasp_scripts
Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
WebPlotDigitizer
HTML5 based online tool to extract numerical data from plot images.