BIG-MAP / big-map-registryLinks
Registry for BIG-MAP apps and codes. Find the apps
☆10Updated this week
Alternatives and similar repositories for big-map-registry
Users that are interested in big-map-registry are comparing it to the libraries listed below
Sorting:
- 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 this week
- A Battery Interface Ontology based on EMMO☆45Updated 7 months ago
- Python Package for electrochemical analysis☆23Updated last month
- Illustrating how to publish battery data☆13Updated 3 weeks ago
- Implements core functions for AiiDAlab.☆16Updated 3 weeks ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Updated last month
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆13Updated 7 months ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆19Updated 9 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- A program to automatically generate volcano plots for catalysis.☆13Updated 6 months ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago
- Simmate is full-stack framework for chemistry research.☆35Updated last week
- Tools for auto-generating the battery-materials database.☆45Updated 2 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated last week
- Graphic user interface (GUI) for the battery database.☆16Updated 2 years ago
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆13Updated last week
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆32Updated last month
- Mr. Network is a python reaction-network for molecular systems☆11Updated 3 years ago
- Tools related to X-ray absorption spectroscopy (XAS)☆19Updated 11 months ago
- ☆20Updated last year
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆13Updated 4 months ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 5 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Updated 2 months ago
- ☆25Updated 7 months ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆16Updated 2 weeks ago
- XRay Estimation and Refinement Using Similarity (XERUS)☆32Updated 4 months ago