A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
☆46Aug 20, 2024Updated last year
Alternatives and similar repositories for mat_discover
Users that are interested in mat_discover are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated 9 months ago
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆14Jun 24, 2025Updated 9 months ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 5 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- ☆16Jan 30, 2022Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago
- Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.☆18Jan 3, 2025Updated last year
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆69Nov 25, 2025Updated 4 months ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- MODNet: a framework for machine learning materials properties☆106May 2, 2025Updated 10 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆27Updated this week
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆78Nov 24, 2025Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆11Jun 11, 2025Updated 9 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 7 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆51Feb 23, 2026Updated last month
- Tools for machine learnt interatomic potentials☆44Mar 20, 2026Updated last week
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Feb 14, 2024Updated 2 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Jan 24, 2026Updated 2 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- Python interface for the zeo++ package☆17Aug 15, 2025Updated 7 months ago
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated 7 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- Predict materials properties using only the composition information!☆123Apr 23, 2023Updated 2 years ago
- ☆103Sep 16, 2025Updated 6 months ago
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆223Updated this week
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- ☆291Mar 22, 2026Updated last week
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Mar 23, 2026Updated last week
- ML benchmarking and pipeling framework☆15Oct 28, 2025Updated 5 months ago
- 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.
- PyTorch Autodiff DFT-D4 Implementation.☆24Mar 21, 2026Updated last week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 2 months ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆12Sep 10, 2025Updated 6 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆17Nov 3, 2025Updated 4 months ago
- jobflow is a library for writing computational workflows.☆120Updated this week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Sep 1, 2022Updated 3 years ago
- The Wren sits on its Roost in the Aviary.☆61Jan 6, 2026Updated 2 months ago