Machine-learning quantum mechanics
☆10Sep 17, 2020Updated 5 years ago
Alternatives and similar repositories for MLQM
Users that are interested in MLQM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Main repository for the CP-PAW code☆12Jun 1, 2026Updated last week
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆40May 26, 2026Updated 2 weeks ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14May 16, 2026Updated 3 weeks ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Quantum Algorithms, Quantum Machine Learning, Quantum Cognition, Quantum Walks, Quantum Random Access Memory☆12Dec 29, 2019Updated 6 years ago
- Quantum Machine Learning☆10Jan 19, 2023Updated 3 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Mar 5, 2023Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Materials used in a school on QMC methods☆25Aug 1, 2019Updated 6 years ago
- ☆23Mar 11, 2023Updated 3 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- a unified interface for molecular harmonic vibrational frequency calculations☆33May 15, 2026Updated 3 weeks 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.
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- Quantum Machine Learning algorithms☆16Apr 3, 2024Updated 2 years ago
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 2 years ago
- ☆17Jun 4, 2026Updated last week
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 2 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- Python framework for the reverse engineering of Hamiltonian models of quantum systems through machine learning.☆22Mar 31, 2023Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆25Nov 7, 2025Updated 7 months ago
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- ☆24Mar 12, 2026Updated 3 months ago
- MRH's research code☆27Jun 1, 2026Updated last week