Descriptors (isometry invariants) of crystals based on geometry.
☆39Nov 17, 2025Updated 6 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)☆42Feb 10, 2026Updated 4 months ago
- Generate symmetrized force constants☆28Jun 3, 2026Updated last week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 3 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- A code to generate atomic structure with symmetry☆376Updated this week
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Library for Crystal Symmetry in Rust☆75Updated this week
- Compute neighbor lists for atomistic systems☆80Jun 2, 2026Updated last week
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆45Jun 4, 2026Updated last week
- Alchemical machine learning interatomic potentials☆35Nov 8, 2024Updated last year
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆31Jan 30, 2025Updated last year
- train and use graph-based ML models of potential energy surfaces☆124May 7, 2026Updated last month
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Oct 3, 2022Updated 3 years ago
- ☆12Dec 15, 2023Updated 2 years ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆10Jul 8, 2025Updated 11 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆26Aug 20, 2025Updated 9 months ago
- 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 2 years ago
- ☆12Apr 14, 2026Updated last month
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆100Updated this week
- A software for automating materials science computations☆38Apr 20, 2026Updated last month
- ☆23Jun 2, 2024Updated 2 years ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆47Apr 1, 2025Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆67Apr 26, 2026Updated last month
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- The IUCr CIF core dictionary☆23May 18, 2026Updated 3 weeks ago
- The Wren sits on its Roost in the Aviary.☆64Apr 12, 2026Updated last month
- A text-guided diffusion model for crystal structure generation☆79May 30, 2025Updated last year
- Computing representations for atomistic machine learning☆81Jun 2, 2026Updated last week
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 6 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆466Apr 18, 2026Updated last month
- 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.
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 7 months ago
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆31Sep 2, 2025Updated 9 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 3 months ago
- ☆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
- Quick Uncertainty and Entropy via STructural Similarity☆60Apr 1, 2026Updated 2 months ago