A high-performance toolkit for quantum and classical chemistry calculations.
☆56Jun 28, 2026Updated this week
Alternatives and similar repositories for qdk-chemistry
Users that are interested in qdk-chemistry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Google Antigravity, OpenClaw, etc)☆121Updated this week
- Gold-Standard Chemical Database 138 (GSCDB138)☆38Mar 19, 2026Updated 3 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- JIT-compiled GPU kernels for quantum chemistry☆35Jan 30, 2026Updated 4 months ago
- Robust exception like error handling using modern Fortran☆19Oct 17, 2021Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Fortran library providing automatic differentiation☆30May 15, 2026Updated last month
- Many-body objects for quantum computing: a Julia implementation☆11Jun 23, 2025Updated last year
- Ergo blockchain stats☆14May 31, 2026Updated 3 weeks ago
- ☆69May 4, 2026Updated last month
- Some files and samples related to quantum computing☆16Jan 9, 2019Updated 7 years ago
- This is the Python-based repository for Variational LOCC-assisted quantum circuits for long-range entangled states.☆11Nov 6, 2025Updated 7 months ago
- ☆23Oct 9, 2025Updated 8 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆20Aug 6, 2024Updated last year
- Code for simulations and plots for the paper "How to factor 2048 bit RSA integers with less than a million noisy qubits"☆20Apr 23, 2026Updated 2 months ago
- FPM module to generate module dependency charts☆14Feb 19, 2026Updated 4 months ago
- ☆125Jun 9, 2025Updated last year
- Efficient parallel quantum chemistry DMRG in MPO formalism☆118May 29, 2026Updated 3 weeks ago
- Rotation gate synthesis for early fault-tolerant quantum computing☆17Apr 27, 2026Updated 2 months ago
- Cookiecutter for setting up python projects with pixi that just work☆37May 26, 2026Updated last month
- Near-term quantum algorithm benchmarking for PDEs☆13Jun 6, 2024Updated 2 years ago
- Python package that generates QSP/GQSP phase factors using Non-Linear Fourier Analysis☆18Jun 9, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Fortran refactoring tools