scripts to load all data from ICSD, Materials Project, and OQMD
☆69Oct 11, 2022Updated 3 years ago
Alternatives and similar repositories for materials_data_api_scripts
Users that are interested in materials_data_api_scripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆22Jul 27, 2026Updated last month
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Fermi surface generation, analysis and visualisation.☆102Sep 4, 2026Updated 2 weeks ago
- Equilibrium ED solver for finite fermionic models that can compute Keldysh Green's functions☆15Jun 4, 2026Updated 3 months ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- A RL framework for Crystal Structure Generation using GRPO☆72May 14, 2026Updated 4 months ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated last week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆27Sep 1, 2022Updated 4 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆17Dec 19, 2025Updated 9 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 8 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.
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- Datasets to be used by ESPEI. CC-BY-4.0☆15Oct 9, 2021Updated 4 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆146Sep 8, 2026Updated last week
- Scalable graph neural networks for materials property prediction☆65Feb 2, 2026Updated 7 months ago
- A general parser for VASP☆16Updated this week
- ☆18Sep 12, 2023Updated 3 years ago
- ☆34Feb 17, 2022Updated 4 years ago
- Defect structure-searching employing chemically-guided bond distortions☆131Jul 17, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- VASP Convergence Testing (for Energy & Dielectric Constants)☆60May 23, 2026Updated 3 months ago
- D3Q + thermal2☆30Jun 8, 2026Updated 3 months ago
- Library for Crystal Symmetry in Rust☆81Updated this week
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆28May 25, 2023Updated 3 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆15Sep 5, 2026Updated 2 weeks ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆466Jul 27, 2026Updated last month
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- ☆62Dec 5, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- atomate2 is a library of computational materials science workflows☆348Updated this week
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆332Aug 25, 2025Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Dec 15, 2022Updated 3 years ago
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 5 years ago
- The Materials Project Workshop Curriculum☆121Mar 1, 2023Updated 3 years ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated 2 months ago