blaiszik / Materials-DatabasesLinks
☆95Updated 3 weeks ago
Alternatives and similar repositories for Materials-Databases
Users that are interested in Materials-Databases are comparing it to the libraries listed below
Sorting:
- General purpose tools for high-throughput catalysis☆96Updated 4 months ago
- Python package to aid materials design and informatics☆123Updated last week
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆116Updated last year
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆92Updated 2 months ago
- ☆71Updated 4 years ago
- Automatic generation of crystal structure descriptions.☆125Updated 2 weeks ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆108Updated last year
- An automatic engine for predicting materials properties.☆164Updated last year
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Specification of a common REST API for access to materials databases☆95Updated last week
- ☆106Updated last month
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆103Updated 6 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last month
- A suite of computational materials science tools.☆140Updated last year
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆127Updated last month
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Things that you should (and should not) do in your Materials Informatics research.☆193Updated last year
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆74Updated last year
- Python Materials Discovery Framework☆75Updated last year
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆65Updated 7 years ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- Agent-based sequential learning software for materials discovery☆63Updated last year
- A Python library for building atomic neural networks☆117Updated 5 months ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆106Updated last month
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆150Updated 4 months ago
- Atomic interaction potentials based on artificial neural networks☆119Updated last month