A tool for constructing accurate machine learning force fields in moir\'e systems
☆22Feb 12, 2026Updated 8 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.☆44Apr 13, 2026Updated 6 months ago
- ☆81Sep 27, 2023Updated 3 years 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☆24May 7, 2025Updated last year
- ☆11Feb 23, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Different utilities used by our group☆39Sep 7, 2026Updated 2 months ago
- ☆19Jan 27, 2020Updated 6 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- 🔧 Python package for 3rd/4th-order force constant calculation via finite displacement method, with ML potential support & thermal disord…☆20Oct 14, 2026Updated 3 weeks ago
- Crsytal simulation tools☆11Updated this week
- Export Eigenvectors from Phonopy format to VESTA☆57Dec 24, 2024Updated last year
- Visualize interactively phonon dispersions and their eigenvectors☆16Feb 7, 2025Updated last year
- Benchmark metrics for crystal structure prediction☆15Aug 1, 2024Updated 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 5 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.
- [DEPRECATED] A NEGF Python package for quantum transport simulations. We have moved! Please go to: https://github.com/deepmodeling/dpnegf☆15Jul 12, 2026Updated 3 months ago
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 4 months ago
- ☆14Dec 14, 2024Updated last year
- Building tight-binding model for generic twisted graphene☆13Aug 30, 2021Updated 5 years ago
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- Irreducible Cartesian Natural Tensor Networks -- CarNet☆12Jul 13, 2026Updated 3 months ago
- Agent-driven testing toolkit: test skills via role-play and test project features via simulated users☆12Jun 23, 2026Updated 4 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆28Dec 17, 2025Updated 10 months ago
- This package is for constructing of the LAttice Wannier Functions and other types of Wannier functions.☆13Oct 11, 2026Updated 3 weeks 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.
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- Diffusion models for disordered materials☆25Nov 18, 2025Updated 11 months ago
- Hamster.jl is a powerful Julia package to fit and run calculations with effective Hamiltonians to compute temperature-dependent optoelect…☆17Updated this week
- Package to perform tight binding calculation in tight binding models, with a friendly user interface☆48Aug 6, 2021Updated 5 years ago
- Assessment and Application of Universal Machine Learning Interatomic Potentials in Solid-State Electrolyte Research☆12Oct 7, 2025Updated last year
- [Nature Communications] Official code for "Siamese Foundation Models for Crystal Structure Prediction".☆18May 13, 2026Updated 5 months ago
- Cartesian Atomic Moment Potentials -- CAMP☆11Jun 18, 2025Updated last year
- QMC and QMCPACK Summer School 2025☆22Jul 22, 2025Updated last year
- Public repository for the MATLAB code to compute band structures and other properties of twisted multilayer TMDs☆16Oct 31, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Phonon dynamical structure factor calculation☆13Aug 11, 2023Updated 3 years ago
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 3 years ago
- VASP Electronic Structure Tool☆10May 11, 2021Updated 5 years ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- Post-data processing for ShengBTE☆17Nov 8, 2025Updated 11 months ago
- The LAMMPS interface for the machine learning force field of MatPL.☆14Updated this week
- Non-equilibrium green's function method☆20Nov 26, 2015Updated 10 years ago