XenonPy is a Python Software for Materials Informatics
☆157Jul 15, 2024Updated last year
Alternatives and similar repositories for XenonPy
Users that are interested in XenonPy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 years ago
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆262Feb 2, 2026Updated 4 months ago
- Code to build a probabilistic predictive model for HSP☆40Mar 10, 2022Updated 4 years ago
- Data mining for materials science☆601Updated this week
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆18Dec 27, 2017Updated 8 years ago
- A knowledge graph for Materials Science.☆76Nov 4, 2024Updated last year
- ☆12May 13, 2022Updated 4 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆460Jun 4, 2026Updated last week
- An automatic engine for predicting materials properties.☆170Nov 12, 2023Updated 2 years ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- Things that you should (and should not) do in your Materials Informatics research.☆203Nov 17, 2023Updated 2 years ago
- Tutorial to learn basic features of atomate2☆15Sep 17, 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.
- ☆21Sep 19, 2025Updated 8 months ago
- Predict materials properties using only the composition information!☆127Apr 23, 2023Updated 3 years ago
- MODNet: a framework for machine learning materials properties☆111May 2, 2025Updated last year
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆197Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆262Jul 18, 2024Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- A code to generate atomic structure with symmetry☆376Updated this week
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆123Jun 7, 2021Updated 5 years ago
- rule-based virtual polymer library generator☆54Dec 23, 2025Updated 5 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- CrySPY is a crystal structure prediction tool written in Python.☆151Oct 6, 2025Updated 8 months ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆86Dec 17, 2024Updated last year
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆97May 3, 2026Updated last month
- ☆14Oct 16, 2022Updated 3 years ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆117Nov 7, 2025Updated 7 months ago
- The Materials Project Workshop Curriculum☆121Mar 1, 2023Updated 3 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Python package to aid materials design and informatics☆135May 28, 2026Updated last week
- 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.
- The core of the SEAMM environment and graphical interface.☆17Mar 19, 2026Updated 2 months ago
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆515Mar 24, 2026Updated 2 months ago
- ☆13Nov 16, 2022Updated 3 years ago
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 years ago
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 6 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆40Nov 21, 2019Updated 6 years ago