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Vishank Kumar's Projects

abiconfig icon abiconfig

Configuration files to configure/compile Abinit

abinit icon abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

abipy icon abipy

Open-source library for analyzing the results produced by ABINIT

deepchem icon deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

documents icon documents

Containing documents like CV, list of publications etc.

kratos icon kratos

Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface.

lammps icon lammps

Public development project of the LAMMPS MD software package

ml4chem icon ml4chem

ML4Chem: Machine Learning for Chemistry and Materials

mlearn icon mlearn

Benchmark Suite for Machine Learning Interatomic Potentials for Materials

moose icon moose

Multiphysics Object Oriented Simulation Environment

pika icon pika

Phase-field snow microstructure

pybamm icon pybamm

Fast and flexible physics-based battery models in Python

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

quip icon quip

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

schnetpack icon schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

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