DeepSPIN method for deep learning potential of magnetic systems
☆21Jun 4, 2023Updated 3 years ago
Alternatives and similar repositories for DeepSPIN
Users that are interested in DeepSPIN 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 self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆37Nov 10, 2024Updated last year
- Atomic Coordinate Toolkit for visualizing and editing atomic structures inside VS Code.☆20Jul 17, 2026Updated last week
- Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.☆19Jun 8, 2026Updated last month
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆57Jul 11, 2026Updated 2 weeks ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆30Feb 14, 2025Updated last year
- MCP tools to connect LLMs and ABACUS jobs☆27Apr 7, 2026Updated 3 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆47Updated this week
- ☆24May 21, 2025Updated last year
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 4 months ago
- ☆18Feb 26, 2026Updated 5 months ago
- ☆15Feb 17, 2025Updated last year
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆19May 25, 2026Updated 2 months 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.
- Data efficient active learning for machine learning potentials☆18Jul 7, 2026Updated 2 weeks ago
- A light-weight PyTorch extension for equivariant deep learning☆18Feb 20, 2025Updated last year
- [ICLR 2026] Advancing Universal Deep Learning for Electronic-Structure Hamiltonian Prediction of Materials☆25May 22, 2026Updated 2 months ago
- ☆20Jan 6, 2025Updated last year
- [ICML 2025] ELoRA: Low-Rank Adaptation for Equivariant GNNs☆25Jul 1, 2025Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 8 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆24Jun 22, 2025Updated last year
- dataset augmentation for atomistic machine learning☆25Nov 21, 2025Updated 8 months ago
- ☆57Jun 16, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- python workflow for GW-BSE calculation☆32Jun 16, 2023Updated 3 years ago
- Unsupervised learning of structure in systems of interacting particles.☆13Nov 13, 2023Updated 2 years ago
- Claude Code skills, subagents, and slash commands for scientific research (paper writing, figures, document automation, Korean research p…☆30Jul 3, 2026Updated 3 weeks ago
- ☆20May 13, 2026Updated 2 months ago
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆56Jun 25, 2026Updated last month
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Jul 15, 2026Updated last week
- efficient TDDFT-ris based on MOKIT and PySCF☆21Jan 18, 2026Updated 6 months ago
- SpinW for Python☆16Jul 15, 2026Updated last week
- A foundational potential energy dataset for materials☆57Updated this week
- 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.
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆32Jul 28, 2025Updated last year
- Tools for building equivariant polynomials on reductive Lie groups.☆38Jun 29, 2023Updated 3 years ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Open Source, Prepare a molecular dynamic simulation from scratch without installing local VMD, use LigParGen for topology, it is one of t…☆13Jul 3, 2023Updated 3 years ago
- How to get started with computational chemistry research. Directed to new people in our lab, may be useful in general.☆30Jun 4, 2018Updated 8 years ago
- FEM micromagnetic simulator☆11Jul 20, 2026Updated last week
- A Python package to perform a chemical motif characterization of short-range order.☆30Jul 19, 2025Updated last year