MLMI2-CSSI / foundry
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
☆80Updated last month
Alternatives and similar repositories for foundry:
Users that are interested in foundry are comparing it to the libraries listed below
- Agent-based sequential learning software for materials discovery☆61Updated last year
- Course materials for "Applied AI for Materials Science and Engineering"☆61Updated 3 years ago
- ☆39Updated 11 months ago
- The materials for the Fall ML in Materials course at the UTK MSE☆85Updated last year
- The Wren sits on its Roost in the Aviary.☆53Updated last week
- ☆21Updated 4 years ago
- AlabOS: Managing the workflows in the Autonomous lab☆40Updated 4 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆80Updated last year
- Python Suite for Advanced General Ensemble Simulations☆77Updated 3 weeks ago
- A many-body extension of the FLARE code.☆36Updated 3 years ago
- jobflow is a library for writing computational workflows.☆100Updated this week
- ☆38Updated 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.☆36Updated last year
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆39Updated 6 months ago
- python library for atomistic machine learning☆73Updated last week
- A one-stop-shop for handling data in computational spectroscopy☆16Updated 2 weeks ago
- Crystallography Companion Agent☆22Updated 2 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆86Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆85Updated last week
- ☆18Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆63Updated this week
- Be a master builder of databases of material properties. Avoid the Kragle.☆56Updated this week
- A software for automating materials science computations☆30Updated last month
- Defect analysis modules for pymatgen☆47Updated last week
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 3 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆24Updated last month
- Python library written in C++ for calculation of local atomic structural environment☆59Updated 6 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated 11 months ago
- ☆24Updated this week