dd-debug / synthesis_planning_algorithmLinks
A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.
☆21Updated last year
Alternatives and similar repositories for synthesis_planning_algorithm
Users that are interested in synthesis_planning_algorithm are comparing it to the libraries listed below
Sorting:
- 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
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆32Updated 2 weeks ago
- Software for evaluating pareto-optimal synthesis pathways☆24Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Updated last month
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- ☆20Updated last year
- Python package to simulate differential absorption spectra of crystals from first principles☆32Updated 3 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.☆38Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated last week
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated 2 years ago
- Grand canonical optimization of grain boundary phases.☆31Updated 8 months ago
- ☆26Updated 2 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆12Updated last month
- The Element Movers Distance for chemical composition similarity☆36Updated 9 months ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆16Updated 2 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆55Updated 2 months ago
- Deep learning framework for atomistic image data☆34Updated 4 months ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Updated 2 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆34Updated this week
- Generate random alloys and compute various properties☆64Updated last year
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 11 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆21Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- ☆21Updated 5 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- ☆18Updated 2 years ago
- Tutorials for using the pymatgen library☆63Updated 7 months ago