Jupyter Book source files for 2022 MSD summer research internship.
☆13Jul 10, 2023Updated 2 years ago
Alternatives and similar repositories for mi-book-2022
Users that are interested in mi-book-2022 are comparing it to the libraries listed below
Sorting:
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated last year
- Create new MOFs by combining generative AI and simulation on HPC☆27Sep 30, 2025Updated 5 months ago
- ☆17Mar 24, 2025Updated 11 months ago
- Jupyter Book source files for MSD summer research internship.☆22Jul 6, 2023Updated 2 years ago
- ☆14Updated this week
- Library for Crystal Symmetry in Rust☆70Updated this week
- ☆20May 7, 2024Updated last year
- OpenGLaDOS chatbot using the llama3-70b-8192 and llama-3.3-70b-versatile LLMs.☆10Mar 3, 2026Updated last week
- Python package to analyse the structural dynamics of perovskites☆49Jan 14, 2026Updated last month
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Mar 2, 2026Updated last week
- ☆12Updated this week
- A software for automating materials science computations☆33Oct 22, 2025Updated 4 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Sep 1, 2022Updated 3 years ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆11Jan 28, 2026Updated last month
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 2 months ago
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 2 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated last year
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 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
- A fast canonical-correlation-based search algorithm for feature selection, system identification, data pruning, etc.☆15Updated this week
- Ten quick tips to finish that manuscript that's 90% complete.☆13Mar 30, 2022Updated 3 years ago
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆37Feb 27, 2026Updated last week
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆22Aug 27, 2024Updated last year
- 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
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Jan 28, 2026Updated last month
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆36Dec 8, 2022Updated 3 years ago
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Feb 6, 2026Updated last month
- We are developing a configurable measurement software (CAMELS), targeted towards the requirements of experimental solid-state physics. He…☆17Feb 23, 2026Updated 2 weeks ago
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated 11 months ago
- Source code for the https://workflows.community website☆17Updated this week
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- ab-Initio Configuration Sampling tool kit (abICS)☆18Dec 13, 2025Updated 2 months ago
- Language-interfaced fine-tuning for chemistry☆45Nov 30, 2023Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago