`quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms
☆29Nov 2, 2026Updated this week
Alternatives and similar repositories for quansino
Users that are interested in quansino are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated 3 weeks ago
- Automation software for calculating anharmonic phonon properties☆30Oct 29, 2026Updated last week
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆43Updated this week
- ☆18Oct 12, 2026Updated 3 weeks ago
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated 3 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.
- A julia package for the manipulation of crystal net representations and topology☆57Updated this week
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆53Jan 21, 2026Updated 9 months ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆108Jan 28, 2026Updated 9 months ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆99Sep 20, 2025Updated last year
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆20Oct 7, 2026Updated 3 weeks ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆49Oct 17, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Repository to host supporting information and code samples for Accelerated DFT☆39Apr 29, 2025Updated last year
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Oct 14, 2026Updated 3 weeks ago
- A python library for calculating materials properties from the PES☆157Updated this week
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 8 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆22Oct 27, 2026Updated last week
- A widget to visualize and edit atomic structures in Jupyter Notebook☆52Feb 20, 2026Updated 8 months ago
- ☆64Oct 29, 2026Updated last week
- 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.
- Reproduction of CGCNN for predicting material properties☆29Updated this week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆84Jun 29, 2026Updated 4 months ago
- ☆12Sep 21, 2026Updated last month
- GPU Monte Carlo Simulation Code with a taste of RASPA☆101Oct 23, 2026Updated 2 weeks ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Code for Graph Neural Networks for computational materials science☆25Mar 6, 2026Updated 8 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆43Oct 30, 2026Updated last week
- 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.
- Generate symmetrized force constants☆31Updated this week
- ASE calculator for RASPA2☆12Feb 1, 2025Updated last year
- Chemical intuition for surface science in a package.☆64May 8, 2026Updated 5 months ago
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 11 months ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆27Sep 1, 2026Updated 2 months ago
- A Python module implemented in Rust for Phonopy☆11Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆165Updated this week