An implementation of CBA (Classification Based on Assocation) algorithm
☆25Dec 9, 2020Updated 5 years ago
Alternatives and similar repositories for pyARC
Users that are interested in pyARC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Commands to run VASP jobs automatically. Pre-processing or post-processing☆10Jan 8, 2024Updated 2 years ago
- ☆11Oct 27, 2025Updated last year
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆11Aug 25, 2021Updated 5 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- PYthon Space-Charge Site-Explicit Solver☆10Jul 14, 2021Updated 5 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- QuantumMASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage☆12Oct 19, 2026Updated 2 weeks ago
- Quantum-inspired Cluster Expansion: formulating chemical space search as QUBOs and Ising models☆12Jan 14, 2023Updated 3 years ago
- Transfer learning repo☆11Feb 6, 2025Updated last year
- A plugin for the AiiDA platform providing workflows for calculations with defects☆12Aug 22, 2024Updated 2 years ago
- User friendly magnetic field calculations in python☆12Sep 22, 2026Updated last month
- ☆10Apr 6, 2018Updated 8 years ago
- The High-Throughput Toolkit (httk) is a toolkit for preparing and running calculations, analyzing the results, and storing the results an…☆13Aug 10, 2026Updated 2 months 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.
- This repository contains exercises and projects on computational science and AI for the CompSci program. Lecture notes at https://compph…☆18Oct 14, 2024Updated 2 years ago
- Code used to build the defects dataset for the publication "Machine-learning structural reconstructions for accelerated point defect calc…☆12Jan 22, 2024Updated 2 years ago
- Python software that implements the formulation for evaluating the effects of electron-phonon coupling on the optical properties of defec…☆12Sep 30, 2026Updated last month
- Modern CMake Project☆11Sep 3, 2024Updated 2 years ago
- WESTpy code☆13Aug 29, 2026Updated 2 months ago
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 2022Updated 4 years ago
- Unfolding of first-principle electronic band structure☆14Apr 23, 2023Updated 3 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated 2 years ago
- 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.
- CGCNN with personal modifications for defect calculations☆15Jan 19, 2024Updated 2 years ago
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 5 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆15Apr 18, 2023Updated 3 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 7 years ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 6 years ago
- many-body perturbation theory without empty states☆13Jul 6, 2018Updated 8 years ago
- Course material for the COMPUTE course - Scientific Program in Python and Fortran☆13Oct 27, 2026Updated last week
- ☆14Nov 16, 2022Updated 3 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Jan 15, 2020Updated 6 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆14Sep 29, 2026Updated last month
- Repository for storing all files (TeX, PDF, Exercise and Example codes) for HPC Training on Fortran.☆14Jun 28, 2022Updated 4 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 10 months ago
- A simple Density Matrix Renormalization Group program☆16Jul 27, 2026Updated 3 months ago
- Coursera Deeplearning.ai Specialization Andrew Ng☆11Sep 30, 2019Updated 7 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 9 months ago