Atom-JEPA: Joint-Embedding Predictive Architecture for 3D Atomistic Systems
☆12Oct 7, 2026Updated 3 weeks ago
Alternatives and similar repositories for atom-jepa
Users that are interested in atom-jepa are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- Benchmark metrics for crystal structure prediction☆15Aug 1, 2024Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 8 months ago
- A benchmark for Large Atomistic Models☆20Oct 19, 2026Updated last week
- 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.
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Updated this week
- Mol-JEPA multimodal molecular foundation model☆29Oct 14, 2026Updated 2 weeks ago
- A Python package to flexibly aggregate ChEMBL data into ML-ready datasets using configurable quality filters☆16Oct 5, 2026Updated 3 weeks ago
- ☆10Feb 21, 2023Updated 3 years ago
- ☆28Aug 20, 2025Updated last year
- A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.☆13Oct 20, 2026Updated last week
- Electronic Structure Guided Inverse Design Using Generative Models☆14Jul 7, 2026Updated 3 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆13Jun 22, 2023Updated 3 years 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.
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated 2 months ago
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 6 months ago
- Repo for the paper publishing the superconductor database with 3D crystal structures.☆31Nov 21, 2024Updated last year
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- ☆14Mar 19, 2025Updated last year
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- ☆12Sep 21, 2026Updated last month
- Estimate the thermal conductivity using empirical models☆13Mar 19, 2021Updated 5 years ago
- Lightweight diffusion transformer for crystalline materials discovery☆28Oct 4, 2026Updated 3 weeks 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.
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated 2 months ago
- Transfer learning repo☆11Feb 6, 2025Updated last year
- A Python interface for implementation of crystal structure pre-relaxation and prediction using machine-learning inter-atomic potentials.☆11May 20, 2024Updated 2 years ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- An open-source Python framework that integrates machine learning interatomic potentials (MLIPs) with a tailored batched optimization str…☆12Jul 7, 2026Updated 3 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆20Oct 7, 2026Updated 3 weeks ago
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- This repo contains the results data for Round 2 of EGFR Protein Design Competition.☆20Mar 18, 2025Updated last year
- ML potentials via transfer learning☆30Updated this week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Uncertainty quantification (UQ) for Machine-Learning Interatomic Potentials (MLIPs)☆32Sep 21, 2026Updated last month
- Package for systematic insights into materials discovery models’ performance through standardized chemical cross-validation protocols☆13Nov 15, 2025Updated 11 months ago
- ☆48Jul 3, 2025Updated last year
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- ☆13Jun 29, 2025Updated last year
- ☆17Jul 23, 2026Updated 3 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year