Python script to plot periodic trends as a heat map over the periodic table of elements
☆119Nov 7, 2025Updated 8 months ago
Alternatives and similar repositories for periodic_trends
Users that are interested in periodic_trends are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Jul 15, 2026Updated last week
- Band structure unfolding made easy!☆67Jul 6, 2026Updated 2 weeks ago
- A toolkit for visualizations in materials informatics.☆320Jul 11, 2026Updated 2 weeks ago
- ☆13Mar 11, 2026Updated 4 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Automatic generation of crystal structure descriptions.☆140Jun 15, 2026Updated last month
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Python package to aid materials design and informatics☆136Updated this week
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- A python library for calculating materials properties from the PES☆148Updated this week
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆272Updated this week
- Be a master builder of databases of material properties. Avoid the Kragle.☆68Updated this week
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 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.
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 2 weeks ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Jul 1, 2026Updated 3 weeks ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 5 months ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated last month
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated 2 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 5 months ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated 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.
- Dealing with slabs for first principles calculations of surfaces☆70Sep 17, 2023Updated 2 years ago
- Python Scripts for the book: Ab Initio Simulations in Materials Science: Hands-On Introduction to Electronic Structure Modeling with VASP…☆15Jul 31, 2025Updated 11 months ago
- atomate2 is a library of computational materials science workflows☆329Updated this week
- Electronic transport properties from first-principles calculations☆164Jul 13, 2026Updated last week
- A modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflo…☆26Jun 2, 2026Updated last month
- Phonons from ML force fields☆24Mar 22, 2026Updated 4 months ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Dec 4, 2023Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months ago
- 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.
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jul 16, 2026Updated last week
- A universal ML model to predict molecular dynamics trajectories with long time steps☆55Jul 5, 2026Updated 2 weeks ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Statistical Mechanics on Lattices☆99Jul 14, 2026Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆153Updated this week
- Library for Crystal Symmetry in Rust☆76Updated this week
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago