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hipart

HiPart is a program to analyze the electronic structure of molecules with fuzzy-atom partitioning methods.

hnn-neurips2019

horovod

Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.

horton

HORTON: Helpful Open-source Research TOol for N-fermion systems

hparams

A thoughtful approach to hyperparameter management.

hpc_workshops

hphi

Quantum Lattice Model Simulator Package

hpm

Hidden physics models: Machine learning of nonlinear partial differential equations

htgw

Package for automatic GW calculations.

hubbard

Python tools for mean-field Hubbard models

hubbardi

Hubbard I solver

hypergrad

Exploring differentiation with respect to hyperparameters

hyperopt

Distributed Asynchronous Hyperparameter Optimization in Python

i-pi

i-PI: a universal force engine

ibm-quantum-qce20-tutorials

Repository of code notebooks for tutorials at IEEE Quantum Week (QCE20) https://qce.quantum.ieee.org/tutorials/

ibm-quantum-schemas

IBM Quantum API Schemas

ieee-quantum-week-2020

Demos and tutorials for IEEE Quantum Week 2020.

ilustrado

High-throughput crystal structure prediction with genetic algorithms.

img2mol

incubator-mxnet

Lightweight, Portable, Flexible Distributed/Mobile Deep Learning with Dynamic, Mutation-aware Dataflow Dep Scheduler; for Python, R, Julia, Scala, Go, Javascript and more

inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

intel-devcloud-samples

interfacing-fortran

A complete tutorial on interfacing Fortran with C

intermediate-mpi

Intermediate MPI lesson

interviews.ai

It is my belief that you, the postgraduate students and job-seekers for whom the book is primarily meant will benefit from reading it; however, it is my hope that even the most experienced researchers will find it fascinating as well.

introduction-to-mpi

Software Carpentry style introduction to MPI

iodata

Python library for reading, writing, and converting computational chemistry file formats and generating input files.

ipyparallel

IPython Parallel: Interactive Parallel Computing in Python

ipython

Official repository for IPython itself. Other repos in the IPython organization contain things like the website, documentation builds, etc.

itensor

A C++ library for efficient tensor network calculations