☆23Apr 5, 2025Updated last year
Alternatives and similar repositories for nep_extrapolation
Users that are interested in nep_extrapolation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python interface of NEP☆71Oct 27, 2025Updated 10 months ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆50Aug 29, 2026Updated 3 weeks ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆133Updated this week
- A Toolkit for GPUMD&NEP☆179Updated this week
- Deep Potential Evolution Accelerator☆37Sep 6, 2026Updated 2 weeks 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.
- ☆15Dec 4, 2024Updated last year
- Material structure processing software based on ASE (Atomic Simulation Environment)☆81Sep 10, 2026Updated last week
- CPU version of NEP☆105Sep 10, 2026Updated last week
- Graphics Processing Units Molecular Dynamics☆840Updated this week
- OVITO Python modifier to compute the Warren-Cowley parameters.☆50Apr 1, 2025Updated last year
- ☆14Apr 9, 2025Updated last year
- Tutorials related to GPUMD☆113Aug 28, 2026Updated 3 weeks ago
- A Python interface for GPUMD☆36Nov 30, 2022Updated 3 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 3 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.
- Useful scripts in Computaional Material Science.☆24Apr 13, 2026Updated 5 months ago
- DeePMD-kit plugin for various graph neural network models☆56Updated this week
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- ☆14Dec 14, 2024Updated last year
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- InvDesFlow for the inverse design of high-temperature superconducting materials, integrating generative models, stability models, superco…☆20Apr 8, 2026Updated 5 months ago
- ☆16Feb 26, 2026Updated 6 months ago
- ☆16Apr 2, 2025Updated last year
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Aug 3, 2026Updated last month
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Study, Explore and Visualize Collision Cascades☆22Dec 12, 2022Updated 3 years ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Cross-platform Optimizer for ML Interatomic Potentials☆25Aug 31, 2025Updated last year
- ABACUS开源软件的中文用户文档☆52Jul 31, 2026Updated last month
- Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"☆17Nov 5, 2023Updated 2 years ago
- Nanoreactor analysis codes (not yet released)☆12Apr 24, 2023Updated 3 years ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆30Apr 29, 2025Updated last year
- Collection of Tutorials on Machine Learning Interatomic Potentials☆31Jul 26, 2024Updated 2 years ago
- ☆17May 12, 2025Updated last year
- 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.
- Main Repository of SPONGE☆28Updated this week
- ☆21Jan 6, 2025Updated last year
- Some scripts for gpumd and nep☆75Aug 18, 2026Updated last month
- Python package for detecting spin space group on top of spglib☆25Oct 29, 2025Updated 10 months ago
- Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble☆17Sep 23, 2023Updated 2 years ago
- ☆33Nov 10, 2023Updated 2 years ago
- Tutorials on atomic simulations related to my research☆32Jun 30, 2022Updated 4 years ago