A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
☆284Nov 28, 2025Updated 4 months ago
Alternatives and similar repositories for mendeleev
Users that are interested in mendeleev are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- Batch Calculator for Zeolite synthesis☆11Dec 14, 2024Updated last year
- ☆13Sep 14, 2025Updated 7 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Oct 4, 2024Updated last year
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆374Aug 25, 2025Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- A curated list of Python packages related to chemistry☆1,379Sep 21, 2025Updated 6 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 6 years ago
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆56Apr 7, 2026Updated last week
- Heavyweight plotting tools for ab initio calculations☆245Apr 9, 2026Updated last week
- ☆15Aug 13, 2021Updated 4 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- A Vim/Neovim syntax plugin for VASP's input files☆13Apr 23, 2025Updated 11 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A code to generate atomic structure with symmetry☆360Apr 7, 2026Updated last week
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆851Sep 6, 2021Updated 4 years ago
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,850Updated this week
- Chemical intuition for surface science in a package.☆58Mar 30, 2026Updated 2 weeks ago
- A Python package for radioactive decay modelling that supports 1252 radionuclides, decay chains, branching, and metastable states.☆114Feb 10, 2025Updated last year
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- Chemoinformatics toolkit with support for inorganic molecules☆45Oct 9, 2025Updated 6 months 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.
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Apr 6, 2026Updated last week
- Format description for ACE nuclear data files☆23Apr 28, 2022Updated 3 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆122Jun 7, 2021Updated 4 years ago
- ☆11Apr 8, 2026Updated last week
- Automatic generation of crystal structure descriptions.☆134Apr 6, 2026Updated last week
- ⚗ A package useful for chemistry written in Python☆640Updated this week
- The core of the SEAMM environment and graphical interface.☆15Mar 19, 2026Updated 3 weeks ago
- ☆20Oct 18, 2022Updated 3 years ago
- 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.
- Graph deep learning library for materials☆530Apr 8, 2026Updated last week
- Collection of validation scripts, notebooks, results☆11Dec 23, 2025Updated 3 months ago
- Data mining for materials science☆579Apr 6, 2026Updated last week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Jun 27, 2024Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆95Updated this week
- A Julia package for accessing chemical elements data.☆22Apr 3, 2026Updated last week
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year