Source code and examples for searching structures using RANGE
☆15Jul 27, 2026Updated last week
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.☆17Updated this week
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated last week
- Sparse Gaussian Process Potentials☆28May 8, 2026Updated 3 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- ☆19Nov 19, 2024Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- 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 2 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆28Jul 15, 2026Updated 3 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 last month
- ☆17Jul 23, 2026Updated 2 weeks ago
- ☆18May 22, 2025Updated last year
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 4 years ago
- 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.
- ☆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".☆20Dec 4, 2025Updated 8 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☆23Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months ago
- ☆15Nov 13, 2022Updated 3 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆25Jul 16, 2026Updated 3 weeks ago
- 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☆48Oct 17, 2025Updated 9 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Updated this week
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Full-sky estimators for binned polyspectra and primordial template amplitudes☆16Jul 16, 2026Updated 3 weeks ago
- ☆18Feb 26, 2026Updated 5 months ago
- Deep Potential Evolution Accelerator☆37Jul 7, 2026Updated last month
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆32Jul 28, 2025Updated last year
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆30Dec 30, 2025Updated 7 months ago
- ☆70Jul 9, 2026Updated last month
- ☆58Updated this week