sgbaird / honegumiLinks
Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
☆57Updated 3 weeks ago
Alternatives and similar repositories for honegumi
Users that are interested in honegumi are comparing it to the libraries listed below
Sorting:
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated 11 months ago
- 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
- train and use graph-based ML models of potential energy surfaces☆101Updated last week
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆31Updated last month
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆89Updated last month
- ☆18Updated last year
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆55Updated 2 weeks ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- A text-guided diffusion model for crystal structure generation☆62Updated 2 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆44Updated last month
- The Wren sits on its Roost in the Aviary.☆59Updated this week
- The architector python package - for 3D metal complex design. C22085☆64Updated this week
- hierachical automation of the natural sciences☆21Updated 5 months ago
- ☆58Updated 2 years ago
- 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
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- An ecosystem for digital reticular chemistry☆48Updated 11 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆30Updated 11 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆60Updated last month
- Active Learning for Machine Learning Potentials☆56Updated last week
- ☆20Updated last year
- An overview of literature that discusses the use of machine learning for atomistic simulations☆45Updated 2 years ago
- ☆13Updated last year
- Basic sanity checks for MOFs.☆29Updated 2 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆43Updated last week
- Chemical intuition for surface science in a package.☆36Updated 2 weeks ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆36Updated 3 months ago
- ☆12Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆48Updated 10 months ago