HybriD3-database / MatD3Links
Curatable database for experimental and theoretical data on solid materials.
☆13Updated 3 months ago
Alternatives and similar repositories for MatD3
Users that are interested in MatD3 are comparing it to the libraries listed below
Sorting:
- Official Repository of the Optados code☆24Updated last month
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- python interface to isotropy☆15Updated 5 years ago
- ☆14Updated 5 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Updated 3 years ago
- Electro-Chemical Optimizer☆12Updated 8 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated 2 weeks ago
- Tracking citations of atomistic simulation engines☆26Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- ☆42Updated last week
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆17Updated last week
- A software for automating materials science computations☆33Updated last month
- Generate isosurface from density data☆14Updated 7 months ago
- ☆23Updated this week
- Python version of Grimme's D3-dispersion correction for Gaussian input/output☆19Updated 3 years ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Updated 3 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆16Updated 10 months ago
- ☆21Updated 6 years ago
- DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…☆19Updated 2 months ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- ☆17Updated 8 months ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated 2 years ago
- ☆27Updated last year
- Quick tools for materials chemistry☆19Updated last year
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated last year
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year