AccelerationConsortium / awesome-self-driving-labsLinks
A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accelerate scientific discovery.
☆204Updated 3 months ago
Alternatives and similar repositories for awesome-self-driving-labs
Users that are interested in awesome-self-driving-labs are comparing it to the libraries listed below
Sorting:
- AlabOS: Managing the workflows in the Autonomous lab☆47Updated last month
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆78Updated last month
- Torch-native, batchable, atomistic simulations.☆397Updated this week
- scalable molecular simulation☆138Updated 3 months ago
- An interactive structure/property explorer for materials and molecules☆166Updated this week
- ☆44Updated last year
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆123Updated 4 years ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆100Updated last year
- Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations☆64Updated 10 months ago
- Force fields produced by the Open Force Field Initiative☆174Updated last week
- Molecular dynamics simulations with an LLM agent☆225Updated last week
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆181Updated last month
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆90Updated 4 months ago
- ☆64Updated last year
- molSimplify code☆206Updated last month
- ☆63Updated 3 years ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆71Updated last month
- ☆273Updated 2 months ago
- Example implementations of common machine learning projects in chemistry.☆183Updated last year
- LOOS: a lightweight object-oriented structure analysis library☆127Updated 3 months ago
- An open source Python framework for transition interface and path sampling calculations.☆116Updated last month
- eChem: Jupyter book on theoretical chemistry☆110Updated 3 months ago
- A post-processing engine for particle simulations☆46Updated 5 months ago
- Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …☆122Updated 11 months ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆196Updated 2 months ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆66Updated last month
- A Python package for calculating molecular features☆215Updated last week
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆214Updated this week
- Python package to aid materials design and informatics