emdgroup / baybe-ac24-workshopLinks
Accelerate 2024 Workshop on Bayesian Optimization Recipes With BayBE
☆10Updated last year
Alternatives and similar repositories for baybe-ac24-workshop
Users that are interested in baybe-ac24-workshop are comparing it to the libraries listed below
Sorting:
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆59Updated 2 months ago
- ☆10Updated 3 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆31Updated 3 weeks ago
- ☆13Updated last year
- ☆20Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆21Updated 5 months ago
- ☆11Updated this week
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆17Updated this week
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 3 years ago
- AlabOS: Managing the workflows in the Autonomous lab☆44Updated last month
- ☆18Updated last year
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 3 years ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆19Updated last year
- ☆21Updated last year
- ☆31Updated last year
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Updated 10 months ago
- Chemical intuition for surface science in a package.☆39Updated 2 weeks ago
- ☆15Updated 4 years ago
- datalab is a place to store experimental data and the connections between them.☆69Updated this week
- ☆21Updated 5 years ago
- ☆11Updated 2 years ago
- ☆33Updated 3 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆39Updated last week
- Machine learning guided optimal composition selection for high strength Niobium alloy☆11Updated 2 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- Multimodal aid for mining of chemical reactions from PDFs☆26Updated 2 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- The architector python package - for 3D metal complex design. C22085☆67Updated 3 weeks ago