materialsproject / mp-react-componentsLinks
A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.
☆27Updated this week
Alternatives and similar repositories for mp-react-components
Users that are interested in mp-react-components are comparing it to the libraries listed below
Sorting:
- Building blocks for scientific data pipelines☆44Updated last week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆13Updated last week
- Tools for machine learnt interatomic potentials☆38Updated 2 weeks ago
- Random symmetric initialization of crystals☆23Updated 7 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆11Updated last week
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Extended XYZ specification and parsers☆21Updated last year
- python workflow toolkit☆43Updated last month
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 11 months ago
- Create atomistic structures with ASE, rdkit and packmol☆15Updated last week
- Atomistic machine learning models you can use everywhere for everything☆28Updated this week
- A pymatgen addon for parsing Quantum ESPRESSO files☆24Updated 10 months ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆27Updated 2 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://arxiv.org/abs/2509.…☆72Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆14Updated 8 months ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆43Updated last week
- A fully featured ASE calculator for xTB☆21Updated 11 months ago
- Moment Invariants Local Atomic Descriptor☆33Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated this week
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated 2 weeks ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.☆126Updated last week
- Alchemical machine learning interatomic potentials☆32Updated 11 months ago
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆40Updated 3 weeks 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 2 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆38Updated this week
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year