MLMI2-CSSI / foundryLinks
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
☆85Updated 5 months ago
Alternatives and similar repositories for foundry
Users that are interested in foundry are comparing it to the libraries listed below
Sorting:
- Course materials for "Applied AI for Materials Science and Engineering"☆67Updated 3 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated last week
- Agent-based sequential learning software for materials discovery☆63Updated last year
- ☆21Updated last year
- jobflow is a library for writing computational workflows.☆112Updated last week
- Deep learning framework for atomistic image data☆34Updated 2 months ago
- A one-stop-shop for handling data in computational spectroscopy☆16Updated last week
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆87Updated 3 weeks ago
- AlabOS: Managing the workflows in the Autonomous lab☆46Updated 2 months ago
- A program to automatically generate volcano plots for catalysis.☆15Updated 10 months ago
- ☆64Updated 11 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated last week
- ☆43Updated 7 months ago
- python library for atomistic machine learning☆89Updated last week
- Data Science for Materials Science☆65Updated 3 weeks ago
- ☆42Updated 2 weeks ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- Specification of a common REST API for access to materials databases☆98Updated last month
- NIST Interatomic Potential Repository property calculation tools☆24Updated 2 months ago
- ☆11Updated last year
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆38Updated 2 weeks ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated last month
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆87Updated 2 weeks ago
- ase interface for Quantum Espresso☆22Updated 4 years ago
- ☆37Updated 2 weeks ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆34Updated 2 years ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 9 months ago
- Crystallography Companion Agent☆21Updated 3 years ago
- Simmate is a full-stack framework for chemistry research.☆36Updated last week