ocp models for modeling magnetic materials
☆10Dec 11, 2025Updated 10 months ago
Alternatives and similar repositories for ocp_mag
Users that are interested in ocp_mag 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 repository contains the official PyTorch implementation of MatRIS.☆46Oct 3, 2026Updated last month
- Prediction of Curie Temperature using Machine Learning☆10Mar 27, 2025Updated last year
- Machine learning potentials for modeling alloys across compositions☆13Oct 12, 2026Updated 3 weeks ago
- Tensor Atomic/Edge Cluster Expansion☆76Updated this week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16Aug 14, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆27Apr 17, 2025Updated last year
- ☆62Oct 28, 2026Updated last week
- Time-reversal Euclidean neural networks based on e3nn☆24Oct 25, 2026Updated last week
- The pytorch implement of papar《AI-accelerated Discovery of Altermagnetic Materials》☆19Mar 19, 2026Updated 7 months ago
- Tutorial and examples for various types of simulations with i-PI and MLIPs☆15Jul 24, 2025Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- ☆13Apr 17, 2026Updated 6 months ago
- PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structur…☆40May 29, 2026Updated 5 months ago
- ☆28Oct 26, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆16Sep 20, 2024Updated 2 years ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated 2 years ago
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- electrostatic model sandbox based on the MACE MLIP architecture☆40Oct 24, 2026Updated 2 weeks ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆25Sep 9, 2022Updated 4 years ago
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- ☆15Apr 9, 2025Updated last year
- Node Equivariant Message Passing Neural Network☆12Updated this week
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Spin space group (SSG) symmetry analysis toolkit for magnetic materials. Automatically identifies and classifies SSGs, generating symmetr…☆22Sep 30, 2026Updated last month
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- Smooth 3D molecular descriptors from foundational ML interatomic potentials☆20Updated this week
- ☆16Jul 21, 2026Updated 3 months ago
- Electronic Structure Guided Inverse Design Using Generative Models☆14Jul 7, 2026Updated 4 months ago
- Python package for detecting spin space group on top of spglib☆25Sep 29, 2026Updated last month
- Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.☆19Jun 8, 2026Updated 4 months ago
- Diffusion models for disordered materials☆25Nov 18, 2025Updated 11 months ago
- 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.
- ☆22Jul 3, 2026Updated 4 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆43Aug 19, 2026Updated 2 months ago
- ☆119Jan 27, 2026Updated 9 months ago
- ☆10Dec 27, 2018Updated 7 years ago
- A python library for calculating materials properties from the PES☆157Updated this week
- jobflow is a library for writing computational workflows.☆129Updated this week
- Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.☆10Jan 31, 2025Updated last year