python module for performing blocking analysis on data containing serial correlations
☆45Mar 20, 2024Updated 2 years ago
Alternatives and similar repositories for pyblock
Users that are interested in pyblock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19Jul 25, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆69May 27, 2026Updated last month
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56May 18, 2026Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 8 months 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.
- ☆11Feb 23, 2021Updated 5 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 6 months ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆14Nov 6, 2012Updated 13 years ago
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 7 months ago
- A fully autodifferentiable and variational HF☆43Jun 18, 2020Updated 6 years ago
- MRH's research code☆30Updated this week
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 2 months ago
- Computational graph states for variational monte carlo☆17Jul 21, 2019Updated 7 years ago
- 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.
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆13Jan 29, 2026Updated 5 months ago
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 2 years ago
- Nuclear many-body course for 2018☆20Aug 5, 2022Updated 3 years ago
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 3 weeks ago
- Python library for real space quantum Monte Carlo☆101Jun 2, 2026Updated last month
- testcode is a python module for testing for regression errors in numerical (principally scientific) software.☆25Jun 7, 2022Updated 4 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 8 years ago
- Davidson eigensolver implemented in Fortran☆17Feb 12, 2020Updated 6 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 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.
- 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
- ☆70Jun 15, 2025Updated last year
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 4 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆40Apr 30, 2026Updated 2 months ago
- QMC and QMCPACK Summer School 2025☆21Jul 22, 2025Updated last year
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆395Updated this week
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 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.
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 6 years ago
- Graph neural network potential with charge transfer☆37Apr 6, 2022Updated 4 years ago
- a python package for reduced density matrix techniques☆16Sep 4, 2020Updated 5 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- ☆18Updated this week
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago