blaiszik / Materials-Databases
☆85Updated 9 years ago
Alternatives and similar repositories for Materials-Databases:
Users that are interested in Materials-Databases are comparing it to the libraries listed below
- Python package to aid materials design and informatics☆106Updated last week
- General purpose tools for high-throughput catalysis☆91Updated 9 months ago
- ☆67Updated 4 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆114Updated this week
- Automatic generation of crystal structure descriptions.☆113Updated last week
- The Materials Project Workshop Curriculum☆114Updated 2 years ago
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆106Updated 3 years ago
- A suite of computational materials science tools.☆136Updated last year
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆65Updated 6 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆74Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆103Updated 6 months ago
- A grain boundary generation code☆65Updated last year
- A Python library and command line interface for automated free energy calculations☆75Updated 4 months ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆110Updated 9 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated last week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆69Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- Specification of a common REST API for access to materials databases☆86Updated last month
- An automatic engine for predicting materials properties.☆154Updated last year
- Open-source library for analyzing the results produced by ABINIT☆120Updated this week
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆243Updated 8 months ago
- Examples of using the Atomic Simulation Environment☆33Updated 9 years ago
- Atomic interaction potentials based on artificial neural networks☆117Updated last week
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆32Updated 2 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆251Updated 8 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆145Updated 9 months ago
- Python Materials Discovery Framework☆71Updated last year
- ☆66Updated last year