graph2mat: Graph to matrix conversion
☆24Aug 4, 2026Updated 3 weeks ago
Alternatives and similar repositories for graph2mat
Users that are interested in graph2mat are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆20Dec 4, 2025Updated 8 months ago
- Time-reversal Euclidean neural networks based on e3nn☆19Sep 29, 2024Updated last year
- Reciprocal Space Attention (RSA) for Learning Long-Range Interactions☆17Nov 7, 2025Updated 9 months ago
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆31Feb 16, 2026Updated 6 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- STRUCTURES25 - Machine-learning OF-DFT implementation using equivariant graph neural networks (JACS 2025).☆25Feb 2, 2026Updated 7 months ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- ☆51Aug 19, 2026Updated 2 weeks ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆28Nov 21, 2022Updated 3 years ago
- ☆16Sep 16, 2025Updated 11 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- Pragmatic scripts to plot and process VASP output, mostly for MD.☆14Oct 15, 2020Updated 5 years ago
- Extended DeepH (xDeepH) method for magnetic materials.☆41Jun 14, 2023Updated 3 years ago
- ☆16Feb 9, 2026Updated 6 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.
- ☆11Nov 17, 2019Updated 6 years ago
- PyTorch AutoNEB implementation to identify minimum energy paths, e.g. in neural network loss landscapes☆57Sep 14, 2022Updated 3 years ago
- Official implementation of DeepDFT model☆90Feb 28, 2023Updated 3 years ago
- ☆20Updated this week
- HIP: Hessians with Interatomic Potentials☆41Aug 19, 2026Updated 2 weeks ago
- ☆27Jul 16, 2026Updated last month
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Learning Hamiltonian Flow Maps via Mean Flow Consistency for Large-Timestep Molecular Dynamics☆40Jul 4, 2026Updated last month
- ☆12May 13, 2023Updated 3 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.
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆19Jul 16, 2025Updated last year
- ☆18May 22, 2025Updated last year
- This tutorial was prepared for the BIG-MAP AI school January 2022 by Jonas Busk (jbusk@dtu.dk).☆13Jan 23, 2022Updated 4 years ago
- ☆17Apr 22, 2025Updated last year
- Machine-learning-driven VASP interface using MACE potentials☆51Aug 8, 2026Updated 3 weeks ago
- Tensorflow implementation of message passing neural networks for molecules and materials☆12Mar 9, 2020Updated 6 years ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- ☆12Oct 10, 2023Updated 2 years ago
- Scalable DBSCAN and OPTICS for clustering high-dimensional datasets using random projections☆15Nov 1, 2024Updated last year
- 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.
- ☆24Mar 18, 2024Updated 2 years ago
- AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations☆106Updated this week
- Allegro-pol extends the Allegro architecture to model the electric response of materials☆41May 30, 2026Updated 3 months ago
- 用于解锁密码加密的pptx文件，使其可以编辑。☆15May 6, 2021Updated 5 years ago
- ☆12Apr 15, 2024Updated 2 years ago
- Point Edge Transformer☆35Sep 28, 2025Updated 11 months ago
- Unofficial Python port of the conformalmapping MATLAB toolbox☆16Nov 7, 2017Updated 8 years ago