A tool for constructing accurate machine learning force fields in moir\'e systems
☆19Feb 12, 2026Updated 5 months ago
Alternatives and similar repositories for DPmoire
Users that are interested in DPmoire are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆42Apr 13, 2026Updated 3 months ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- continuum model for twist bilayer MoTe2 and twist bilayer MoTe2☆19May 7, 2025Updated last year
- Different utilities used by our group☆38Feb 6, 2026Updated 5 months ago
- ☆19Jan 27, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆79Sep 27, 2023Updated 2 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Visualize interactively phonon dispersions and their eigenvectors☆15Feb 7, 2025Updated last year
- Hamster.jl is a powerful Julia package to fit and run calculations with effective Hamiltonians to compute temperature-dependent optoelect…☆16Jul 22, 2026Updated last week
- Package to perform tight binding calculation in tight binding models, with a friendly user interface☆48Aug 6, 2021Updated 4 years ago
- QMC and QMCPACK Summer School 2025☆21Jul 22, 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
- Monte Carlo simulator for classical Heisenberg model☆13Jun 9, 2021Updated 5 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- 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.
- Ab-initio simulation of interacting fermions with equivariant normalizing flow.☆34Oct 23, 2022Updated 3 years ago
- ☆16Apr 22, 2025Updated last year
- CuPd cluster expansion calculations☆12Oct 27, 2016Updated 9 years ago
- ☆16Jan 31, 2026Updated 5 months ago
- DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.☆116Jul 20, 2026Updated last week
- An automatic tool utilizing multi agent framework CrewAI and MCP for VASP calculation.☆109Oct 18, 2025Updated 9 months ago
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 5 years ago
- A benchmark for Large Atomistic Models☆20Jul 20, 2026Updated last week
- 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.
- ☆15Apr 8, 2025Updated last year
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- This is the data file associated with the publication "User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementatio…☆16Apr 16, 2026Updated 3 months ago
- Export Eigenvectors from Phonopy format to VESTA☆54Dec 24, 2024Updated last year
- Nomalizing flows for orbita-free DFT☆12Sep 20, 2024Updated last year
- Fix lattice component(s) during relaxation in VASP☆143Nov 27, 2025Updated 8 months ago
- ☆29Oct 17, 2024Updated last year
- Datasets for benchmarking machine learning models for predicting Li-ion migration☆36Jun 5, 2025Updated last year
- The pytorch implement of papar《AI-accelerated Discovery of Altermagnetic Materials》☆17Mar 19, 2026Updated 4 months 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 scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- ☆25Jan 20, 2025Updated last year
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- VASP Integrated Supporting Environment☆29May 14, 2026Updated 2 months ago
- ☆115Jan 27, 2026Updated 6 months ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago