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lecture-slides

Lecture Slide Issue Tracking

libcanon

A C++ library for canonicalizing combinatorial objects with lightening speed

libflatarray

Multi-dimensional C++ arrays which store objects in a Struct-of-Arrays (SoA) memory layout for efficient vectorization and zero address generation overhead.

liblbfgs

libLBFGS: a library of Limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS)

libresponse

A library for solving (linear) response equations in quantum chemistry

libtensor

C++ library for tensor computations

libxm

Distributed-parallel C/C++ Tensor Library

lieconv

lightspeed

Lightspeed: An ultralight C++/Python library for electronic structure theory development

likwid

Performance monitoring and benchmarking suite

llama

Inference code for LLaMA models

lotsofcoresbook2code

mirror from http://lotsofcores.com book 2, since dropbox isn't good for everyone

machine-learning-for-economics-and-finance-in-tensorflow-2

source code

making-it-rain

Cloud-based molecular simulations for everyone

map4

The MinHashed Atom Pair fingerprint of radius 2

markus

Git repository of MarkUs

matlab_real_space

Electronic structure code for molecules and clusters

matrix-computations

Code Repository for Matrix Computations(4th Edition) by G.H. Golub and C.F. Van Loan

md

mcmurchie davidson

md-copy

Modified version of the McMurchie-Davidson code for Complex Absorbing Potential Calculations

model-zoo

Implementations of various Deep Learning models in PyTorch and TensorFlow.

models

A collection of pre-trained, state-of-the-art models in the ONNX format

modern-cmake-for-cpp

Modern CMake for C++, published by Packt

modern-cpp-features

A cheatsheet of modern C++ language and library features.

modern-parallel-programming-cpp-assembly

Source code for 'Modern Parallel Programming with C++ and Assembly' by Dan Kusswurm

mof_screen

High-throughput DFT of MOFs using ASE/VASP

molassembler

Chemoinformatics toolkit with support for inorganic molecules

molecularmodelling

Inputs for computational modelling packages

molmod-data

Data files for the molecular modelling course

mpitutorial

MPI programming lessons in C and executable code examples