mavanish

alignn

Atomistic Line Graph Neural Network

Extending-and-Modifying-LAMMPS-Writing-Your-Own-Source-Code

Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt

GB_code

A grain boundary generation code

gdynet

Unsupervised learning of atomic scale dynamics from molecular dynamics.

jarvis_leaderboard

This project provides benchmark-performances for materials science applications including Artificial Intelligence (AI), Electronic Structure (ES), Force-field (FF), Quantum Computation (QC) and Experiments (EXP) methods.

lammps-tutorials

LAMMPS tutorials for Beginners

mavanish

Config files for my GitHub profile.

pyMAINS

Set of python scripts to read, analyze, and modify lammps data/dump files using python panda libraries. It reduces explicit use for loops for characterization.

pyquaternion

A fully featured, pythonic library for representing and using quaternions

VirTex

Python code to do virtual texture analysis, developed at CMMG, IMS, UConn

mavanish/VirTex

Python code to do virtual texture analysis, developed at CMMG, IMS, UConn

mavanish/Extending-and-Modifying-LAMMPS-Writing-Your-Own-Source-Code

Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt

mavanish/lammps-tutorials

LAMMPS tutorials for Beginners

mavanish/pyMAINS

Set of python scripts to read, analyze, and modify lammps data/dump files using python panda libraries. It reduces explicit use for loops for characterization.

mavanish/pyquaternion

A fully featured, pythonic library for representing and using quaternions

mavanish/alignn

Atomistic Line Graph Neural Network

mavanish/GB_code

A grain boundary generation code

mavanish/gdynet

Unsupervised learning of atomic scale dynamics from molecular dynamics.

mavanish/jarvis_leaderboard

This project provides benchmark-performances for materials science applications including Artificial Intelligence (AI), Electronic Structure (ES), Force-field (FF), Quantum Computation (QC) and Experiments (EXP) methods.

mavanish/mavanish

Config files for my GitHub profile.

mavanish/mavanish.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

mavanish/PhononFlow

A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.

mavanish/pyiron

pyiron - an integrated development environment (IDE) for computational materials science.

mavanish/pytransform3d

3D transformations for Python

mavanish/rtd-tutorial

mavanish/rtd-tutorial-new