Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.
☆344Jun 25, 2026Updated last week
Alternatives and similar repositories for matterviz
Users that are interested in matterviz are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆237Jun 20, 2026Updated 2 weeks ago
- A python library for calculating materials properties from the PES☆147Jun 22, 2026Updated last week
- A toolkit for visualizations in materials informatics.☆319Jun 27, 2026Updated last week
- Library for Crystal Symmetry in Rust☆75Updated this week
- Torch-native, batchable, atomistic simulations.☆472Jun 17, 2026Updated 2 weeks 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.
- jobflow is a library for writing computational workflows.☆121Jun 22, 2026Updated last week
- materials science related animations☆13Jan 9, 2025Updated last year
- train and use graph-based ML models of potential energy surfaces☆126May 7, 2026Updated last month
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16May 15, 2026Updated last month
- GRACE models and gracemaker (as implemented in TensorPotential package)☆96Jun 5, 2026Updated 3 weeks ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆105Jan 28, 2026Updated 5 months ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆269Updated this week
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆82Updated this week
- 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.
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 7 months ago
- atomate2 is a library of computational materials science workflows☆322Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Compute neighbor lists for atomistic systems☆82Jun 24, 2026Updated last week
- 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
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆104Jun 20, 2026Updated 2 weeks ago
- ☆42Jun 28, 2026Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆389Feb 19, 2026Updated 4 months ago
- Code for automated fitting of machine learned interatomic potentials.☆152Jun 19, 2026Updated 2 weeks ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆253Updated this week
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- A foundational potential energy dataset for materials☆57Jun 17, 2026Updated 2 weeks ago
- Generate symmetrized force constants☆29Jun 22, 2026Updated last week
- ORB forcefield models from Orbital Materials☆601Updated this week
- Chemical intuition for surface science in a package.☆61May 8, 2026Updated last month
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆50Jun 22, 2026Updated last week
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Jun 14, 2026Updated 3 weeks ago
- The Wren sits on its Roost in the Aviary.☆64Apr 12, 2026Updated 2 months 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.
- ☆17Mar 24, 2025Updated last year
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆20Jun 15, 2026Updated 2 weeks ago
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,259Jun 10, 2026Updated 3 weeks ago
- Statistical Mechanics on Lattices☆98Updated this week
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆697Jun 25, 2026Updated last week
- Python package to interact with high-dimensional representations of the chemical elements☆51May 3, 2026Updated 2 months ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆33Nov 30, 2024Updated last year