A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
☆291Nov 28, 2025Updated 5 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
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆384Aug 25, 2025Updated 9 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- A curated list of Python packages related to chemistry☆1,399Sep 21, 2025Updated 8 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.☆59May 15, 2026Updated last week
- Heavyweight plotting tools for ab initio calculations☆251Apr 9, 2026Updated last month
- ☆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 last year
- A code to generate atomic structure with symmetry☆371Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆869Sep 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…☆1,890Updated this week
- Chemical intuition for surface science in a package.☆61May 8, 2026Updated 2 weeks ago
- A Python package for radioactive decay modelling that supports 1252 radionuclides, decay chains, branching, and metastable states.☆115Feb 10, 2025Updated last year
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Generate isosurface from density data☆14Mar 7, 2026Updated 2 months ago
- Chemoinformatics toolkit with support for inorganic molecules☆46Oct 9, 2025Updated 7 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆459May 13, 2026Updated 2 weeks 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.
- ☆14Sep 14, 2025Updated 8 months ago
- Format description for ACE nuclear data files☆23Apr 28, 2022Updated 4 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆261Jul 18, 2024Updated last year
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆122Jun 7, 2021Updated 4 years ago
- ☆11May 18, 2026Updated last week
- Automatic generation of crystal structure descriptions.☆134May 19, 2026Updated last week
- ⚗ A package useful for chemistry written in Python☆647May 11, 2026Updated 2 weeks ago
- The core of the SEAMM environment and graphical interface.☆17Mar 19, 2026Updated 2 months 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☆545Updated this week
- Collection of validation scripts, notebooks, results☆11Dec 23, 2025Updated 5 months ago
- Data mining for materials science☆596May 18, 2026Updated last week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆154Jun 27, 2024Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆100Apr 16, 2026Updated last month
- A Julia package for accessing chemical elements data.☆22May 13, 2026Updated last week
- Tracking citations of atomistic simulation engines☆27Apr 18, 2026Updated last month