Python binding for Citrine's GEMD data model
☆13Mar 4, 2026Updated 2 weeks ago
Alternatives and similar repositories for gemd-python
Users that are interested in gemd-python are comparing it to the libraries listed below
Sorting:
- ☆22Updated this week
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 4 months ago
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- Illustrating how to publish battery data☆13May 27, 2025Updated 9 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- The ELN custom schemas from synthesis experiments☆11Aug 5, 2025Updated 7 months ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆11Nov 17, 2023Updated 2 years ago
- Reference implementation in python for Citrination api☆14Updated this week
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- ☆25Jan 22, 2025Updated last year
- Utility to compile string of chemical terms into data structure with chemical formula and composition☆13Sep 17, 2021Updated 4 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 6 months ago
- AiiDA Web API for data queries and workflow management.☆12Feb 11, 2026Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- ☆12Mar 5, 2026Updated 2 weeks ago
- Atomic graph models for molecules and crystals in Julia☆61Nov 16, 2022Updated 3 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification☆12Mar 2, 2026Updated 2 weeks ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- CRIPT Python SDK☆11Apr 13, 2023Updated 2 years ago
- Training materials☆22Dec 3, 2019Updated 6 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Chemical Methods Ontology☆16Mar 4, 2026Updated 2 weeks ago
- ☆17Apr 29, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Updated this week
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆22Mar 13, 2026Updated last week
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- hierachical automation of the natural sciences☆23Feb 12, 2025Updated last year
- The Core Scientific Dataset Model (CSDM): A versatile and light-weight file-format for scientific datasets.☆18Dec 10, 2025Updated 3 months ago
- Building blocks for scientific data pipelines☆43Mar 12, 2026Updated last week
- ☆22Nov 18, 2023Updated 2 years ago
- ☆17Mar 24, 2025Updated 11 months ago
- Smith Special Collections staff user documentation on operations and services.☆13Nov 20, 2024Updated last year
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Jul 11, 2024Updated last year
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- ☆20May 7, 2024Updated last year