enze-chen / mi-book-2021Links
Jupyter Book source files for MSD summer research internship.
☆19Updated 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 program to automatically generate volcano plots for catalysis.☆15Updated 9 months ago
- ☆11Updated 5 years ago
- Course repository for 06-623☆13Updated 5 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 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 10 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆31Updated last week
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- ☆17Updated 6 months ago
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 8 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Updated 3 years ago
- ☆20Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Input script for Monte Carlo (GCMC) simulations☆19Updated last year
- ☆26Updated 10 months ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 6 months ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 4 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- predicting charges on MOF atoms via a message passing MOFs☆24Updated 5 years ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆15Updated last month
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆23Updated last year
- A one-stop-shop for handling data in computational spectroscopy☆16Updated last week
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated last month
- ☆26Updated 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.☆37Updated last year
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 11 months ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆16Updated 2 months ago