Assessment and Application of Universal Machine Learning Interatomic Potentials in Solid-State Electrolyte Research
☆12Oct 7, 2025Updated last year
Alternatives and similar repositories for SSE
Users that are interested in SSE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆25Aug 4, 2026Updated 2 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆17Dec 19, 2025Updated 10 months ago
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- 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.
- Python toolkit for molecular dynamics analysis☆50Oct 19, 2026Updated 2 weeks ago
- Datasets for benchmarking machine learning models for predicting Li-ion migration☆39Jun 5, 2025Updated last year
- Phonon dynamical structure factor calculation☆13Aug 11, 2023Updated 3 years 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
- An open-source Python framework that integrates machine learning interatomic potentials (MLIPs) with a tailored batched optimization str…☆12Jul 7, 2026Updated 3 months ago
- A free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials☆25Oct 14, 2026Updated 2 weeks ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆20Oct 7, 2026Updated 3 weeks ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Electron-phonon coupling with any functional☆14Jan 26, 2026Updated 9 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated 2 weeks ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago
- Automation software for calculating anharmonic phonon properties☆30Updated this week
- ☆12Oct 1, 2026Updated last month
- Building MD simulations for polymer electrolyte system☆15Oct 6, 2025Updated last year
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 5 months ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆33Feb 14, 2025Updated last year
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- A package to compute the heat flux for MACE machine-learned force fields☆12Sep 12, 2026Updated last month
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- JAX implementation of the NequIP neural network interatomic potential☆18Feb 24, 2026Updated 8 months ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- ☆19Jan 27, 2020Updated 6 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A benchmark for Large Atomistic Models☆20Updated this week
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 4 months ago
- MACE_Osaka24 models☆30Apr 15, 2026Updated 6 months ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 3 years ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- Irreducible Cartesian Natural Tensor Networks -- CarNet☆12Jul 13, 2026Updated 3 months ago