contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
☆17Jan 25, 2017Updated 9 years ago
Alternatives and similar repositories for Haskell-abinitio
Users that are interested in Haskell-abinitio are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python re-implementation of szabo.f☆10Jul 30, 2015Updated 10 years ago
- do the Fourier transform using the method of Padé approximants☆23Nov 4, 2024Updated last year
- Diffusion Monte Carlo method☆12Nov 2, 2018Updated 7 years ago
- GPU-accelerated coupled cluster with density fitting☆18Jun 26, 2018Updated 7 years ago
- C++ based DFT program for educational purposes☆63Dec 14, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Add a hspec test-suite in one command☆10Aug 22, 2016Updated 9 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago
- Haskell bindings to Apache Arrow☆12Aug 21, 2018Updated 7 years ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆17Oct 25, 2022Updated 3 years ago
- Distributed Data Structures in Coq☆49Oct 7, 2013Updated 12 years ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Jan 4, 2026Updated 3 months ago
- Building Petri Nets in Javascript using Interaction Category semantics☆14Feb 1, 2017Updated 9 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Numerical integration grid for molecules.☆50Feb 3, 2026Updated 2 months ago
- Stock Market Visualization in Haskell and Qt Quick☆21Dec 15, 2014Updated 11 years ago
- bddem is a SWI-Prolog pack for using Binary Decision Diagrams☆13Mar 30, 2026Updated last week
- classical density-functional theory☆32Jul 26, 2022Updated 3 years ago
- Haskell to D3.js binding by deep EDSL approach.☆23Sep 20, 2014Updated 11 years ago
- Sift through Haskell code for analysis purposes☆18Jul 24, 2018Updated 7 years ago
- Yet Another extended Hueckel Molecular Orbital Package☆28Mar 6, 2026Updated last month
- ideally, this will become a pure Haskell library for Linear Integer/Mixed Programming☆16Nov 12, 2018Updated 7 years ago
- Some python workbooks with various topics from Computational Physics☆64Mar 7, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Scripts and Tools for Electron Microscopy Image Analysis.☆11Nov 25, 2025Updated 4 months ago
- Offload Eigen operations to GPUs☆20Feb 3, 2022Updated 4 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago
- Read parquet format with Haskell☆18Oct 12, 2022Updated 3 years ago
- optking: A molecular geometry optimization program☆27Aug 22, 2025Updated 7 months ago
- Integration of the Warp webserver with Let's Encrypt☆19Mar 7, 2017Updated 9 years ago
- Automatic Differentiation using Pseudo Lenses. Neat.☆21Feb 7, 2020Updated 6 years ago
- R for Mass Spectrometry documentation☆15Apr 4, 2026Updated last week
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- An reimplementation of the Statistics.Sample Haskell module using the foldl package☆22May 6, 2024Updated last year
- 分子シミュレーションの理論や関連するトピックをまとめたノート☆28Mar 7, 2024Updated 2 years ago
- 技術書のサポートページです☆10Aug 21, 2020Updated 5 years ago
- A formalization of synthetic differential geometry in Coq using infinitesimal analysis☆11Aug 29, 2021Updated 4 years ago
- Compile git revision info into Haskell projects☆33Jun 21, 2023Updated 2 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆29May 13, 2025Updated 10 months ago