☆17Jul 23, 2026Updated 3 months ago
Alternatives and similar repositories for SUS2-MLIP
Users that are interested in SUS2-MLIP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- ☆17Apr 22, 2025Updated last year
- ☆18Feb 26, 2026Updated 8 months ago
- Machine learning potentials for modeling alloys across compositions☆13Oct 12, 2026Updated 2 weeks ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months 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.
- Dual Adaptive Sampling for Machine Learning Interatomic potential.☆10Dec 3, 2021Updated 4 years ago
- ☆22Oct 13, 2026Updated 2 weeks ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 5 months ago
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated 2 months ago
- A free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials☆25Oct 14, 2026Updated 2 weeks ago
- ☆15Feb 17, 2025Updated last year
- 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
- CRISP: Enhancing ASE Workflows with Advanced Molecular Simulation Post-Processing☆12Aug 17, 2026Updated 2 months ago
- Grain-boundary generator with Atomman☆13Sep 24, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆13Jun 29, 2025Updated last year
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Atomistic foundation models for materials simulation and discovery. Research previews from Kairos Materials.☆61Oct 2, 2026Updated 3 weeks ago
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- A Python module implemented in Rust for Phonopy☆11Oct 2, 2026Updated 3 weeks ago
- ☆43Updated this week
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 6 years ago
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 11 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.
- JAX implementation of the NequIP neural network interatomic potential☆18Feb 24, 2026Updated 8 months ago
- A cellular automaton for simulation solid state reactions☆20Oct 20, 2026Updated last week
- STable AutoCorrelation Integral Estimator for time-correlated data☆20Oct 12, 2026Updated 2 weeks ago
- Custom trained GRACE-OFFF models☆12Jun 2, 2026Updated 4 months ago
- PyTorch/PyG implementation of M3GNet☆12Sep 11, 2023Updated 3 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- ML Performance and Extrapolation Guide (reference deployment https://ml-peg.stfc.ac.uk)☆71Updated this week
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- 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
- 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 last month
- ☆61Updated this week
- Different utilities used by our group☆39Sep 7, 2026Updated last month
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆18Nov 7, 2024Updated last year
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year