fuzhanrahmanian / MADAP
Python Package for electrochemical analysis
☆20Updated 4 months ago
Alternatives and similar repositories for MADAP:
Users that are interested in MADAP are comparing it to the libraries listed below
- A one-stop-shop for handling data in computational spectroscopy☆16Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 8 months ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆15Updated 5 months ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆17Updated 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
- Tools related to X-ray absorption spectroscopy (XAS)☆18Updated 7 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆50Updated 3 weeks ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆13Updated last year
- Tutorials for using the pymatgen library☆31Updated last month
- ☆20Updated 4 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆17Updated last month
- High-throughput DFT of MOFs using ASE/VASP☆26Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 4 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated last year
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- Data-driven risk-conscious thermoelectric materials discovery☆15Updated last month
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated 9 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆33Updated last month
- Agent-based sequential learning software for materials discovery☆61Updated last year
- The Element Movers Distance for chemical composition similarity☆33Updated 3 months 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 this week
- A widget to visualize and edit atomic structures in Jupyter Notebook☆27Updated last week
- ☆18Updated last year
- ☆18Updated 3 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- ☆16Updated 7 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆25Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆52Updated last year