Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Mater...
PennyLane is a cross-platform Python library for differentiable programm...
The electronic structure package for quantum computers.
Curated list of open-source quantum software projects.
A curated list of Python packages related to chemistry
Open-Source Quantum Chemistry – an electronic structure package in C++ d...
Quantum chemistry and solid state physics software package
SchNetPack - Deep Neural Networks for Atomistic Systems
Semiempirical Extended Tight-Binding Program Package
Introductions to key concepts in quantum programming, as well as tutoria...
NWChem: Open Source High-Performance Computational Chemistry
Accurate Neural Network Potential on PyTorch
Deep learning quantum Monte Carlo for electrons in real space
Parsers and algorithms for computational chemistry logfiles
Faster alternative to Metal Performance Shaders