SergeiVKalinin / AutomatedExperiment_Summer2023
The summer training course on the Bayesian Optimization
☆27Updated last year
Alternatives and similar repositories for AutomatedExperiment_Summer2023:
Users that are interested in AutomatedExperiment_Summer2023 are comparing it to the libraries listed below
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆49Updated last month
- ☆59Updated 5 months ago
- ☆39Updated last year
- The architector python package - for 3D metal complex design. C22085☆44Updated last week
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆15Updated 3 weeks ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆30Updated this week
- ☆32Updated 4 years ago
- open data sets for machine learning pertaining to porous materials☆27Updated last year
- ☆17Updated 11 months ago
- A brain for self-driving laboratories☆36Updated 3 months ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆51Updated 2 years ago
- An overview of literature that discusses the use of machine learning for atomistic simulations☆44Updated 2 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated 2 years ago
- AlabOS: Managing the workflows in the Autonomous lab☆41Updated last week
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆37Updated this week
- An elementary MD simulation program written in python☆24Updated 3 years ago
- hierachical automation of the natural sciences☆20Updated 2 months ago
- An ecosystem for digital reticular chemistry☆47Updated 7 months ago
- rule-based virtual polymer library generator☆36Updated 3 months ago
- Agent-based sequential learning software for materials discovery☆62Updated last year
- 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
- The Wren sits on its Roost in the Aviary.☆55Updated this week
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆25Updated 2 years ago
- Mirror of http://zeoplusplus.org/☆9Updated 6 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆16Updated last year
- Chemical intuition for surface science in a package.☆19Updated last week
- A software for automating materials science computations☆30Updated last week
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆26Updated last year
- Shared repo for trajectory analysis and infrastructure development☆19Updated last year
- ☆12Updated 3 months ago