☆29Oct 17, 2024Updated last year
Alternatives and similar repositories for DeepRelax
Users that are interested in DeepRelax are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆16Sep 20, 2024Updated last year
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 3 years ago
- HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals☆31Jun 24, 2026Updated last week
- Extended DeepH (xDeepH) method for magnetic materials.☆40Jun 14, 2023Updated 3 years ago
- Additional code for carrying out neural network modeling of hybrid DFT Hamiltonians (arxiv.org/abs/2302.08221)☆17Aug 29, 2024Updated last year
- 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.
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆38Jun 2, 2026Updated 3 weeks ago
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- A tool for constructing accurate machine learning force fields in moir\'e systems☆17Feb 12, 2026Updated 4 months ago
- Tight-binding package written in Julia☆63Nov 19, 2023Updated 2 years ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48May 15, 2023Updated 3 years ago
- Uncertainty quantification (UQ) for Machine-Learning Interatomic Potentials (MLIPs)☆28Jun 9, 2026Updated 3 weeks ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- ☆13Nov 2, 2024Updated last year
- 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.
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 8 months ago
- A Foundation Model for Crystal Structure Generation and Prediction☆146Mar 31, 2026Updated 3 months ago
- ☆18Jul 29, 2024Updated last year
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26May 5, 2026Updated last month
- List of compressed file extensions☆16Apr 30, 2024Updated 2 years ago
- Modular Matrix Exponentiation Cryptography☆10Nov 27, 2023Updated 2 years ago
- Manage OpenVPN☆20Nov 11, 2010Updated 15 years ago
- Semantic Versioning 2.0 in Fortran☆10Jun 4, 2026Updated 3 weeks ago
- A Cairo/Skia Benchmark☆11Oct 14, 2014Updated 11 years ago
- 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.
- Simple Calculator: I created simple calculator to perform operations.☆13Jun 21, 2024Updated 2 years ago
- ☆25Nov 1, 2024Updated last year
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Jun 22, 2026Updated last week
- Fortran and Python library to predict material interface structures☆21Updated this week
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- ☆115Jan 27, 2026Updated 5 months ago
- Ruby Static Checker☆30Nov 7, 2011Updated 14 years ago
- Fortran Statistics and Machine Learning Library☆25Jun 3, 2026Updated 3 weeks ago
- DropKAN (Dropout Kolmogorov Arnold Networks)☆18Jun 23, 2025Updated last year
- 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.
- APEX: Alloy Properties EXplorer using simulations☆45Jun 22, 2026Updated last week
- A foundational potential energy dataset for materials☆57Jun 17, 2026Updated 2 weeks ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆119Mar 9, 2026Updated 3 months ago
- pg_linux_stats provides information similar to the Linux commands vmstat, iostat, netstat and mpstat via PostgreSQL.☆16Jan 14, 2025Updated last year
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆55Updated this week
- Energy-guided binder design pipeline built on BindCraft☆18Jun 6, 2025Updated last year
- ☆12Jun 26, 2023Updated 3 years ago