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1d-rmdft

3d-rism

3d-rism-cuda

3d-rism-cuda-mpi

3d-rism-mpi

3d-rism-tinker

3D-RISM on Tinker

allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

amgx

Distributed multigrid linear solver library on GPU

aqme

Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer generation, 2) QM input file creation, 3) post-processing of QM output files, 4) generation of xTB, DFT and RDKit descriptors. https://aqme.readthedocs.io

atif

automatic-hamiltonian-design

bgle

Simulation code for the generalized Langevin equation

blueqat

Quantum Computer Library for Everyone

cdftpy

centos8-gcc

cfdpython

A sequence of Jupyter notebooks featuring the "12 Steps to Navier-Stokes" http://lorenabarba.com/

chemformer

chemps2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry

cpp_software_design

Code Examples from "C++ Software Design: Design Principles and Patterns for High-Quality Software" (ISBN: 1098113160)

cuda-samples

Samples for CUDA Developers which demonstrates features in CUDA Toolkit

cudalibrarysamples

CUDA Library Samples

cunumeric

An Aspiring Drop-In Replacement for NumPy at Scale

cuquantum

Home for cuQuantum Python & NVIDIA cuQuantum SDK C++ samples

deep-learning-from-scratch

『ゼロから作る Deep Learning』(O'Reilly Japan, 2016)

deep-learning-from-scratch-2

『ゼロから作る Deep Learning ❷』(O'Reilly Japan, 2018)

deep-learning-from-scratch-3

『ゼロから作る Deep Learning ❸』(O'Reilly Japan, 2020)

deep-learning-from-scratch-4

deep-learning-with-pytorch-ja

deep-learning-with-pytorchの日本語版repositoryです。

deep-reinforcement-learning-book

書籍「つくりながら学ぶ！深層強化学習」のサポートリポジトリです

deepchem

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