Source code and examples for searching structures using RANGE
☆15Aug 26, 2026Updated last month
Alternatives and similar repositories for RANGE
Users that are interested in RANGE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Enhanced sampling in the representation space of atomistic neural networks.☆17Sep 28, 2026Updated last week
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated 2 months ago
- Sparse Gaussian Process Potentials☆28May 8, 2026Updated 5 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆19Feb 15, 2026Updated 7 months ago
- ☆20Nov 19, 2024Updated last year
- 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.
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated last year
- Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling☆38May 22, 2026Updated 4 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Sep 24, 2026Updated 2 weeks ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamics workflows.☆22Nov 21, 2024Updated last year
- ☆13Jun 17, 2026Updated 3 months ago
- ☆17Jul 23, 2026Updated 2 months ago
- ☆18May 22, 2025Updated last year
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 4 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.
- ☆17Apr 22, 2025Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆21Dec 4, 2025Updated 10 months ago
- Controlled Online Optimization Learning (COOL): Finding the Ground State of Spin Hamiltonians with Reinforcement Learning (arXiv:2003.000…☆13Jun 18, 2020Updated 6 years ago
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆25Aug 4, 2026Updated 2 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 7 months ago
- ☆15Nov 13, 2022Updated 3 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 4 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆28Sep 29, 2026Updated last week
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- ☆15Feb 17, 2025Updated last year
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Oct 29, 2024Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆49Oct 17, 2025Updated 11 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 11 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆22Sep 28, 2026Updated last week
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years 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.
- Full-sky estimators for binned polyspectra and primordial template amplitudes☆16Jul 16, 2026Updated 2 months ago
- ☆18Feb 26, 2026Updated 7 months ago
- Deep Potential Evolution Accelerator☆37Sep 19, 2026Updated 2 weeks ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆34Jul 28, 2025Updated last year
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆34Dec 30, 2025Updated 9 months ago
- ☆73Jul 9, 2026Updated 2 months ago
- ☆62Sep 16, 2026Updated 3 weeks ago