tilde-lab / tilde
Materials informatics framework for ab initio data repositories
☆18Updated 2 years ago
Alternatives and similar repositories for tilde
Users that are interested in tilde are comparing it to the libraries listed below
Sorting:
- High throughput workflow tools for characterizing 2D materials in VASP.☆21Updated last year
- NIST Interatomic Potential Repository property calculation tools☆23Updated last year
- Make periodic table map plots and pettifor-style trend plots.☆28Updated 7 years ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated last year
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆40Updated last week
- A collection of crystal structures from first-principles simulations☆32Updated 5 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Updated 4 months ago
- merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project☆23Updated 5 years ago
- Examples of using the Atomic Simulation Environment☆34Updated 9 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- A Basic Symmetry Module (Python)☆17Updated last month
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Python framework for generating and validating pseudo potentials☆44Updated last year
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 2 years ago
- Multipurpose ab initio MD program.☆9Updated this week
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- A general forcefield for phonon properties of metal-organic frameworks☆13Updated 4 years 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
- materials.sh☆10Updated 5 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- Course repository for 06-640 - Molecular simulation☆25Updated 12 years ago
- Tutorial material for hands-on sessions (work in progress)☆25Updated 3 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆24Updated 2 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- materialsvirtuallab / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Updated 4 years ago
- Python Materials Discovery Framework☆71Updated last year
- Gauge-including magnetically induced currents.☆28Updated last year