☆23Jul 23, 2019Updated 7 years ago
Alternatives and similar repositories for SA-GPR
Users that are interested in SA-GPR are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 11 months ago
- Open-source stochastic GW software☆15Apr 28, 2025Updated last year
- A molecular integral code generator☆12Feb 7, 2016Updated 10 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.
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆56Updated this week
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆473Apr 18, 2026Updated 6 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 2024Updated 2 years ago
- ☆12Apr 15, 2024Updated 2 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 3 years ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 5 months ago
- An implementation combining FermiNet with effective core potential (ecp). For paper, see https://arxiv.org/abs/2108.11661.☆16Sep 13, 2023Updated 3 years ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.☆13Apr 16, 2026Updated 6 months 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.
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆92Jan 10, 2026Updated 9 months ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 6 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆63Nov 30, 2022Updated 3 years ago
- ☆12Jun 11, 2026Updated 4 months ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- Generate isosurface from density data☆15Sep 7, 2026Updated last month
- moved to https://github.com/Zhaoyilunnn/qdao☆10Aug 30, 2023Updated 3 years 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.
- Linear Scaling Electronic Structure☆13Jan 3, 2017Updated 9 years ago
- The source code of PGD-VAE☆12Dec 8, 2022Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- ☆40Jul 20, 2019Updated 7 years ago
- ☆18Aug 18, 2026Updated 2 months ago
- Materials Design by Monte Carlo Tree Search☆35Dec 2, 2021Updated 4 years ago
- ☆12Sep 9, 2020Updated 6 years ago
- Numerically exact Green's functions for lattice polaron models, easily and efficiently☆11Dec 17, 2024Updated last year
- ASE density-functional tight-binding calculator☆69Jan 23, 2025Updated last year
- 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.
- Interface package for featurizing atomic structures☆42Nov 3, 2023Updated 2 years ago
- python interface to isotropy☆18Aug 12, 2020Updated 6 years ago
- The code used in the paper "First principles physics-informed neural network for quantum wavefunctions and eigenvalue surfaces"☆13Nov 20, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- WEST code☆38Aug 29, 2026Updated 2 months ago
- Official implementation of DeepDFT model☆91Feb 28, 2023Updated 3 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago