QML: Quantum Machine Learning
☆209Dec 8, 2024Updated last year
Alternatives and similar repositories for qml
Users that are interested in qml are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tutorials for machine learning with the QML library☆13May 10, 2018Updated 8 years ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 6 years ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 6 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A project to apply many body quantum physics algorithm, e.g. tensor network, DMRG, MCMC to solve machine learning problems☆24Dec 20, 2016Updated 9 years ago
- Amons-based quantum machine learning for quantum chemistry☆26Nov 4, 2025Updated 8 months ago
- Scripts to generate the figures in the book Quantum Machine Learning: What Quantum Computing Means to Data Mining☆25May 26, 2014Updated 12 years ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Updated this week
- This repository contains the source code used to produce the results presented in the paper "Machine learning method for state preparatio…☆121Jul 10, 2019Updated 7 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆471Apr 18, 2026Updated 3 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 2024Updated 2 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- Quick and dirty protonation☆18Jun 15, 2022Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- SchNetPack - Deep Neural Networks for Atomistic Systems☆932Updated this week
- Molecular structure optimizer☆130Updated this week
- Quantum Machine Learning algorithms☆16Apr 3, 2024Updated 2 years ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 4 years ago
- Tensorflow + Molecules = TensorMol☆277Feb 11, 2021Updated 5 years ago
- ANI-1 neural net potential with python interface (ASE)☆230Mar 11, 2024Updated 2 years ago
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆13Jan 29, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions☆72Sep 17, 2019Updated 6 years ago
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Sep 30, 2024Updated last year
- SchNet - a deep learning architecture for quantum chemistry☆303Sep 4, 2018Updated 7 years ago
- Fully connected neural nets for supervised learning DQMC data☆12Jul 13, 2016Updated 10 years ago
- Python module for quantum chemistry☆1,635Updated this week
- n2p2 - A Neural Network Potential Package☆245Mar 17, 2025Updated last year
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆398Jul 5, 2026Updated 2 weeks ago
- This is the code for "Quantum Machine Learning" By Siraj Raval on Youtube☆278Sep 4, 2018Updated 7 years ago
- Parsers and algorithms for computational chemistry logfiles☆416Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Jun 26, 2026Updated 3 weeks ago
- A data set of 20 million calculated off-equilibrium conformations for organic molecules☆105Aug 8, 2022Updated 3 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated 2 years ago
- Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format☆577Mar 16, 2026Updated 4 months ago
- ML4Chem: Machine Learning for Chemistry and Materials☆102Dec 9, 2024Updated last year
- Introduction to Quantum Machine Learning tutorial: Building a quantum perceptron using Microsoft Quantum Development Kit☆54Dec 1, 2020Updated 5 years ago
- Semiempirical Extended Tight-Binding Program Package☆818Jul 13, 2026Updated last week