OVITO Python modifier to compute the Warren-Cowley parameters.
☆45Apr 1, 2025Updated last year
Alternatives and similar repositories for WarrenCowleyParameters
Users that are interested in WarrenCowleyParameters are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆30Jan 30, 2025Updated last year
- A Python package to perform a chemical motif characterization of short-range order.☆25Jul 19, 2025Updated 8 months ago
- A python package that allows easy sbatch job script creation and submissions on hpc clusters, directly from python.☆10Aug 11, 2023Updated 2 years ago
- ☆21Apr 5, 2025Updated last year
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆38Feb 10, 2026Updated 2 months ago
- 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.
- ☆47Updated this week
- ☆11Sep 16, 2024Updated last year
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆34Mar 30, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- Generate random alloys and compute various properties☆68Jan 29, 2026Updated 2 months ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆58Apr 1, 2026Updated last week
- Generate symmetrized force constants☆27Updated this week
- ☆22Dec 11, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Compute neighbor lists for atomistic systems☆74Updated this week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 2 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆95Updated this week
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- Run OpenMM with forces provided by any Python program☆39Dec 25, 2024Updated last year
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated last month
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Feb 14, 2024Updated 2 years ago
- A foundational potential energy dataset for materials☆53Updated this week
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆95Apr 5, 2026Updated last week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Visualization library to work with the paraDIS dislocation dynamics code☆13Sep 27, 2018Updated 7 years ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆39Mar 27, 2026Updated 2 weeks ago
- Descriptors (isometry invariants) of crystals based on geometry.☆39Nov 17, 2025Updated 4 months ago
- Library for Crystal Symmetry in Rust☆70Updated this week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Cross-platform Optimizer for ML Interatomic Potentials☆24Aug 31, 2025Updated 7 months ago
- A Python library and command line interface for automated free energy calculations☆89Mar 30, 2026Updated 2 weeks ago
- Richard Skelton's code for dislocations☆12Jan 23, 2019Updated 7 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆80Updated this week
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- ☆14Apr 26, 2018Updated 7 years ago
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 7 months ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆241Updated this week
- Repository for spectral neighbor analysis potential (SNAP) model development.☆39Jun 30, 2020Updated 5 years ago
- ☆107Feb 23, 2026Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- A collection of files related to machine learning force fields☆22Oct 25, 2023Updated 2 years ago