funsies is a lightweight workflow engine 🔧
☆42Oct 2, 2021Updated 4 years ago
Alternatives and similar repositories for funsies
Users that are interested in funsies are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Modular computation tool chain library☆21Mar 4, 2026Updated 3 weeks ago
- scalable multi-fidelity machine learning☆10Jul 16, 2021Updated 4 years ago
- Golem: an algorithm for robust experiment and process optimization☆18Mar 8, 2021Updated 5 years ago
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 2 years ago
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Jan 23, 2019Updated 7 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆13Jan 6, 2025Updated last year
- Quantum dynamics latent neural ode☆20May 26, 2022Updated 3 years ago
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated 2 months ago
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆15Aug 28, 2023Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 5 years ago
- Solv@TUM - The Solvation Free Energy Database☆13Mar 31, 2024Updated last year
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆49Apr 29, 2025Updated 11 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A wrapper for Multiwfn (Linux) written in bash.☆10Sep 10, 2019Updated 6 years ago
- Primitives for reading and writing the SMILES language in Rust.☆27Sep 9, 2022Updated 3 years ago
- Gaussian Approximation Potential Training☆17Jan 22, 2022Updated 4 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- ☆10Dec 27, 2019Updated 6 years ago
- Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form☆13Jul 27, 2018Updated 7 years ago
- ☆13Sep 4, 2021Updated 4 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Framework for Molecular Aggregate Excitation☆31Updated this week
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆37Mar 12, 2026Updated 2 weeks ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Evolutionary Monte Carlo algorithm for optimization in chemical space.☆13Feb 9, 2026Updated last month
- Chemical perception tree automated exploration tool.☆20Aug 14, 2018Updated 7 years ago
- Code for the paper: "Invertible CNN-Based Super Resolution with Downsampling Awareness" by Andrew Geiss and Joseph C. Hardin, Nov 2020☆12Nov 11, 2020Updated 5 years ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆15Jun 24, 2021Updated 4 years ago
- Quick Reaction Coordinate: normal mode displacement of transition structures☆41Mar 3, 2026Updated 3 weeks ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- automated reaction profile generation☆200Mar 10, 2026Updated 2 weeks ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆15Dec 19, 2025Updated 3 months ago
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆160Feb 7, 2026Updated last month
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆96Nov 24, 2024Updated last year
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 2 months ago
- Common molecule fragments for visualization in Avogadro☆17Feb 6, 2026Updated last month
- An interactive structure/property explorer for materials and molecules☆173Mar 21, 2026Updated last week