Tutorial exercises for the OPTIMADE API
☆17Sep 27, 2023Updated 2 years ago
Alternatives and similar repositories for optimade-tutorial-exercises
Users that are interested in optimade-tutorial-exercises are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 4 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A collection of files related to machine learning force fields☆24Oct 25, 2023Updated 2 years ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- ☆26Aug 20, 2025Updated 10 months ago
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- ☆20May 7, 2024Updated 2 years ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated last month
- 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.
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 2 years ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆13Jul 8, 2025Updated 11 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆56Jan 14, 2026Updated 5 months ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 6 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 2 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 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.
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆39Jun 2, 2026Updated 3 weeks ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆20Nov 28, 2023Updated 2 years ago
- ☆17Mar 24, 2025Updated last year
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- ☆18Sep 12, 2023Updated 2 years ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Jun 22, 2026Updated last week
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- URL links to phonondb data☆39May 20, 2026Updated last month
- 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.
- Benchmark for generative models for materials☆49Apr 27, 2026Updated 2 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆104Jun 20, 2026Updated last week
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- ☆50Jun 30, 2025Updated last year
- Generate symmetrized force constants☆29Jun 22, 2026Updated last week
- Collective atomic modulation analysis with irreducible space-group representation☆18Jun 22, 2026Updated last week
- ☆21Updated this week