Descriptors (isometry invariants) of crystals based on geometry.
☆38Nov 17, 2025Updated 4 months ago
Alternatives and similar repositories for average-minimum-distance
Users that are interested in average-minimum-distance are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆38Feb 10, 2026Updated 2 months ago
- Generate symmetrized force constants☆27Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated last month
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆42Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A code to generate atomic structure with symmetry☆360Updated this week
- Library for Crystal Symmetry in Rust☆70Updated this week
- Compute neighbor lists for atomistic systems☆74Apr 2, 2026Updated last week
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- train and use graph-based ML models of potential energy surfaces☆122Mar 9, 2026Updated last month
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆30Jan 30, 2025Updated last year
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Oct 3, 2022Updated 3 years ago
- ☆12Dec 15, 2023Updated 2 years ago
- ☆25Aug 20, 2025Updated 7 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆25Oct 27, 2023Updated 2 years ago
- ☆20May 7, 2024Updated last year
- ☆12Mar 27, 2026Updated 2 weeks ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆98Apr 1, 2026Updated last week
- A software for automating materials science computations☆33Mar 28, 2026Updated 2 weeks ago
- ☆22Jun 2, 2024Updated last year
- OVITO Python modifier to compute the Warren-Cowley parameters.☆45Apr 1, 2025Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆63Nov 7, 2025Updated 5 months ago
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- 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.
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- The IUCr CIF core dictionary☆22Mar 16, 2026Updated 3 weeks ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated last year
- The Wren sits on its Roost in the Aviary.☆61Updated this week
- A text-guided diffusion model for crystal structure generation☆77May 30, 2025Updated 10 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆58Apr 1, 2026Updated last week
- Computing representations for atomistic machine learning☆79Apr 2, 2026Updated last week
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 5 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆463Sep 27, 2025Updated 6 months 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.
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆31Sep 2, 2025Updated 7 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last month
- ☆11Sep 16, 2024Updated last year
- Geometric analysis of crystal structures☆16Jun 16, 2022Updated 3 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago