CitrineInformatics / gemd-pythonLinks
Python binding for Citrine's GEMD data model
☆13Updated last month
Alternatives and similar repositories for gemd-python
Users that are interested in gemd-python are comparing it to the libraries listed below
Sorting:
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 10 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆22Updated 4 years ago
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆19Updated last month
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 2 months ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆11Updated 2 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- ☆11Updated 2 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated last year
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Updated 7 months ago
- ☆27Updated last year
- ☆20Updated last year
- ☆43Updated 7 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆33Updated 3 weeks ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Updated last year
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Updated 3 years ago
- Bayesian optimization for chemistry☆18Updated last year
- ☆21Updated 2 years ago
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆12Updated 4 months ago
- Helpers for working with pymatgen structure graphs.☆12Updated 9 months ago
- ☆25Updated 9 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Training materials☆22Updated 5 years ago
- ☆17Updated 7 months ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12Updated last year
- Golem: an algorithm for robust experiment and process optimization☆18Updated 4 years ago
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆14Updated 2 years ago