enze-chen / mi-book-2021View external linksLinks
Jupyter Book source files for MSD summer research internship.
☆21Jul 6, 2023Updated 2 years ago
Alternatives and similar repositories for mi-book-2021
Users that are interested in mi-book-2021 are comparing it to the libraries listed below
Sorting:
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- Jupyter Book source files for 2022 MSD summer research internship.☆13Jul 10, 2023Updated 2 years ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 5 months ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- ☆18Feb 1, 2023Updated 3 years ago
- ☆23Nov 2, 2024Updated last year
- Create new MOFs by combining generative AI and simulation on HPC☆27Sep 30, 2025Updated 4 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆35Updated this week
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 2 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Sep 1, 2022Updated 3 years ago
- Python interface for the zeo++ package☆17Aug 15, 2025Updated 6 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated last month
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- flexible materials modeling and lab automation☆16Feb 5, 2026Updated last week
- 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
- CRIPT Python SDK☆11Apr 13, 2023Updated 2 years ago
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆131Feb 7, 2026Updated last week
- 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
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Jun 28, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Jan 28, 2026Updated 3 weeks ago
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆30Aug 20, 2025Updated 5 months ago
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- Source code for the https://workflows.community website☆17Updated this week
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Jan 19, 2026Updated 3 weeks ago
- We are developing a configurable measurement software (CAMELS), targeted towards the requirements of experimental solid-state physics. He…☆16Feb 3, 2026Updated 2 weeks ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Oct 4, 2023Updated 2 years ago
- BayesOpt + LIFT☆73May 15, 2025Updated 9 months ago
- ☆20Nov 19, 2025Updated 2 months ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Feb 4, 2026Updated last week
- Understanding Git for Campus Advisors☆24May 16, 2018Updated 7 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Feb 14, 2024Updated 2 years ago
- Porosity analysis tool☆18Oct 22, 2021Updated 4 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 2 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- Python package to analyse the structural dynamics of perovskites☆48Jan 14, 2026Updated last month
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- Tracking citations of atomistic simulation engines☆27Feb 8, 2026Updated last week