emdgroup / foundry-dev-tools
Foundry DevTools
☆115Updated last week
Related projects ⓘ
Alternatives and complementary repositories for foundry-dev-tools
- Bayesian Optimization and Design of Experiments☆266Updated this week
- This is the repository for the Stmol project, a Streamlit component that uses py3Dmol to render molecules.☆194Updated 11 months ago
- Optimising chemical reactions using machine learning☆120Updated 2 months ago
- ☆21Updated this week
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆130Updated this week
- Experimental design and (multi-objective) bayesian optimization.☆228Updated this week
- hierachical automation of the natural sciences☆20Updated 11 months ago
- Capture all information throughout your model's development in a reproducible way and tie results directly to the model code!☆129Updated last week
- Python binding for Citrine's GEMD data model☆12Updated 3 weeks ago
- 🌹 Cookiecutter template featuring the modern and extensible Python project manager hatch☆67Updated last week
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆72Updated 3 weeks ago
- molfeat - the hub for all your molecular featurizers☆187Updated 2 months ago
- Integrate your chemometric tools with the scikit-learn API 🧪 🤖☆47Updated 3 months ago
- 🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VI…☆119Updated 11 months ago
- Python project template for Snowpark development☆66Updated last year
- Experimental Design via Bayesian Optimization☆125Updated 2 years ago
- PySpark schema generator☆38Updated last year
- Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/cont…☆81Updated last year
- A Python package for processing molecules with RDKit in scikit-learn☆148Updated 2 weeks ago
- ☆33Updated this week
- Molecular Processing Made Easy.☆467Updated 5 months ago
- ☆32Updated last year
- The materials for the Spring Mathematics in Materials course at the UTK MSE☆48Updated 5 months ago
- A foundational package for molecular predictive modelling☆86Updated 3 weeks ago
- add-on to plotly which show molecule images on mouseover!☆241Updated 7 months ago
- Quantum mechanical descriptor generation☆52Updated 4 years ago
- A Library for Gaussian Processes in Chemistry☆211Updated last month
- Snowflake CLI is an open-source command-line tool explicitly designed for developer-centric workloads in addition to SQL operations.☆181Updated this week
- Lightweight tools for experimental design and multi-objective optimization.☆28Updated last year
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆81Updated 10 months ago