neerukulhari

neerukulhari's Stars

• bregman-arie/devops-exercises

  Linux, Jenkins, AWS, SRE, Prometheus, Docker, Python, Ansible, Git, Kubernetes, Terraform, OpenStack, SQL, NoSQL, Azure, GCP, DNS, Elastic, Network, Virtualization. DevOps Interview Questions

  Language:Python66.8k1.2k8814.9k

• chenfei-wu/TaskMatrix

  Language:Python34.6k3013553.3k

• Kanaries/pygwalker

  PyGWalker: Turn your pandas dataframe into an interactive UI for visual analysis

  Language:Python13.4k80217701

• garrettj403/SciencePlots

  Matplotlib styles for scientific plotting

  Language:Python7.2k6295712

• ThilinaRajapakse/simpletransformers

  Transformers for Information Retrieval, Text Classification, NER, QA, Language Modelling, Language Generation, T5, Multi-Modal, and Conversational AI

  Language:Python4.1k661.1k727

• SchedMD/slurm

  Slurm: A Highly Scalable Workload Manager

  Language:C2.7k1290672

• Qiskit/qiskit-tutorials

  A collection of Jupyter notebooks showing how to use the Qiskit SDK

  Language:Jupyter Notebook2.3k1294051.3k

• ChawlaAvi/Daily-Dose-of-Data-Science

  A collection of code snippets from the publication Daily Dose of Data Science on Substack: http://www.dailydoseofds.com/

  Language:Jupyter Notebook799561195

• mir-group/nequip

  NequIP is a code for building E(3)-equivariant interatomic potentials

  Language:Python6422295139

• mdtraj/mdtraj

  An open library for the analysis of molecular dynamics trajectories

  Language:Python598471k282

• JuDFTteam/best-of-atomistic-machine-learning

  🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

  3991022438

• materialsvirtuallab/maml

  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

  Language:Jupyter Notebook370216979

• mir-group/flare

  An open-source Python package for creating fast and accurate interatomic potentials.

  Language:Python2942020971

• spglib/spglib

  C library for finding and handling crystal symmetries

  Language:C28418243110

• usnistgov/alignn

  Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en https://www.youtube.com/watch?v=WYePjZMzx3M

  Language:Python237116185

• DevMountain/learn-git

  Just a basic repository for learning git.

  1852482k

• JetsonHacksNano/buildOpenCV

  Scripts for build OpenCV on the NVIDIA Jetson Nano Developer Kit

  Language:Shell1438793

• molmod/psiflow

  scalable molecular simulation

  Language:Python1236317

• hackingmaterials/robocrystallographer

  Automatic generation of crystal structure descriptions.

  Language:Python10384327

• mir-group/phoebe

  A high-performance framework for solving phonon and electron Boltzmann equations

  Language:C++8597119

• FourPhonon/FourPhonon

  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity

  Language:Verilog623017

• materialsvirtuallab/nano281

  Data Science for Materials Science

  Language:Jupyter Notebook587127

• yangjio4849/TransOpt

  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).

  Language:Fortran511224

• usnistgov/atomvision

  Deep learning framework for atomistic image data

  Language:Python2910716

• FourPhonon/Fourthorder

  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). Please post your questions in the 'Discussion' section of FourPhonon repository.

  Language:HTML25506

• anharmonic/d3q

  D3Q + thermal2

  Language:Fortran223814

• Madsen-s-research-group/neuralil-public-releases

  Public releases of the NeuralIL differentiable neural-network force field

  Language:Python13102

• CoMeT4MatSci/dftbephy

  Calculating electron-phonon couplings with DFTB.

  Language:Jupyter Notebook8110

• kedark19/Phono3py_qe

  Lattice thermal conductivity of Si

  Language:Shell3103

• obaica/ElATools

  ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials

  Language:Fortran2102