lkwagner

lkwagner's Stars

• faif/python-patterns

  A collection of design patterns/idioms in Python

  Language:Python40.6k1.6k886.9k

• jax-ml/jax

  Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

  Language:Python30.6k3375.8k2.8k

• ddbourgin/numpy-ml

  Machine learning, in numpy

  Language:Python15.6k457503.7k

• James-Yu/LaTeX-Workshop

  Boost LaTeX typesetting efficiency with preview, compile, autocomplete, colorize, and more.

  Language:TypeScript10.8k563.1k535

• deepmodeling/deepmd-kit

  A deep learning package for many-body potential energy representation and molecular dynamics

  Language:C++1.5k47837517

• lmmentel/awesome-python-chemistry

  A curated list of Python packages related to chemistry

  1.1k5611214

• nglviewer/nglview

  Jupyter widget to interactively view molecular structures and trajectories

  Language:Jupyter Notebook82422498134

• atomistic-machine-learning/schnetpack

  SchNetPack - Deep Neural Networks for Atomistic Systems

  Language:Python79232252215

• PrairieLearn/PrairieLearn

  Online problem-driven learning system

  Language:TypeScript365192.7k330

• QMCPACK/qmcpack

  Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

  Language:C++306361.4k139

• jakevdp/pySchrodinger

  A Python solver for the 1D Schrodinger equation

  Language:Python12516049

• ALPSCore/ALPSCore

  Core ALPS libraries

  Language:C++1032847141

• WagnerGroup/pyqmc

  Python library for real space quantum Monte Carlo

  Language:Python8379433

• drgreen/COGS18_22

  Language:Jupyter Notebook786018

• sunqm/pyscf

  Python module for quantum chemistry

  Language:Python68171520

• evangelistalab/forte

  Language:C++54118830

• stcarr/kp_tblg

  A relaxed kp model of twisted bilayer graphene

  Language:MATLAB454026

• ghb24/NECI_STABLE

  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

  Language:Fortran44161418

• lukeolson/illinois-letterhead

  Replicating the Illinois letterhead in latex

  Language:TeX416413

• QWalk/mainline

  The mainline development distribution for QWalk

  Language:C++3416623

• comscope/ComDMFT

  ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or qsGW calculations with an impurity problem describing strong on-atom correlations. The impurity problem is set up using Wannier90 and cRPA, and is solved with DMFT and the ComCTQMC impurity solver.

  Language:Roff323314

• sissaschool/turborvb

  Quantum Monte Carlo package, TurboRVB

  Language:Fortran307396

• QMC-Cornell/shci

  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)

  Language:C++2610712

• sampsyo/clusterfutures

  super-slick Slurm and Condor cluster execution for Python

  Language:Python2451019

• Benjamin-Dobell/Fookoff

  Prevent OS X apps stealing focus.

  Language:Objective-C18310

• QMC-Cornell/CHAMP

  Cornell-Holland Ab-initio Materials Package

  Language:Fortran151115

• QMCPACK/pseudopotentiallibrary

  Repository for PseudopotentialLibrary.org website and database

  Language:PHP14143515

• pycroscopy/SciFiReaders

  Tools for extracting data and metadata from scientific data files

  Language:Jupyter Notebook1383913

• LCPQ/QUESTDB_website

  Web application to explore the QUEST database

  Language:JavaScript7302

• zybbigpy/TAPW

  Tight Binding Model of TBG

  Language:Python3381