Pinned Repositories
2021-workshop-material
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)
cv
My CV.
generate_sqs
Generate Special Quasirandom Structures using ATAT framework and Atomsk.
scripts
VASP structure relaxations bash and gnuplot scripts.
sqs2poscar
A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
sufyanshk.github.io
Personal webpage
sufyanshk's Repositories
sufyanshk/scripts
VASP structure relaxations bash and gnuplot scripts.
sufyanshk/generate_sqs
Generate Special Quasirandom Structures using ATAT framework and Atomsk.
sufyanshk/sqs2poscar
A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
sufyanshk/sufyanshk.github.io
Personal webpage
sufyanshk/2021-workshop-material
sufyanshk/awesome-materials-informatics
Curated list of known efforts in materials informatics
sufyanshk/BaderPostProcess
Post processing of Bader charge files.
sufyanshk/BestPractices
Things that you should (and should not) do in your Materials Informatics research.
sufyanshk/Citrine_ML_tut
ML tutorials from Citrine (http://www.citrine.io/blog/?offset=1434641580000)
sufyanshk/cv
My CV.
sufyanshk/flux_scripts
VASP Flux structure relaxation files.
sufyanshk/github-demo
A simple demo repository to show the basic Git workflow.
sufyanshk/imagej
ImageJ macros and plugins.
sufyanshk/matminer_examples
A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
sufyanshk/RDF
A code to compute the radial distribution function
sufyanshk/rdfpy
rdfpy is a Python module for fast computation of 2D and 3D radial distribution functions.
sufyanshk/RLD
Root-mean-squared lattice distortion
sufyanshk/VASP-ScriptsnShit
Some VASP processing and convergence-testing shell scripts.
sufyanshk/vasp_scripts
Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
sufyanshk/vasputil
Command-line utilities and Python libraries designed to make life with VASP easier
sufyanshk/WebPlotDigitizer
HTML5 based online tool to extract numerical data from plot images.