HybriD3-database / MatD3Links
Curatable database for experimental and theoretical data on solid materials.
☆13Updated 4 months ago
Alternatives and similar repositories for MatD3
Users that are interested in MatD3 are comparing it to the libraries listed below
Sorting:
- Mr. Network is a python reaction-network for molecular systems☆11Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Updated 2 years ago
- ☆22Updated 6 years ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Updated 2 years ago
- python interface to isotropy☆15Updated 5 years ago
- Electro-Chemical Optimizer☆12Updated 10 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- 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
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- Official Repository of the Optados code☆24Updated 2 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- ☆14Updated 6 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆13Updated 5 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated 2 months ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 5 months ago
- ☆17Updated 10 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 9 months ago
- Analysing molecular dynamics simulations of crystalline materials using site occupations☆18Updated 3 weeks ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- A software for automating materials science computations☆33Updated 3 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Creating elastic structures using LAMMPS☆12Updated 3 years ago
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆18Updated last month
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆12Updated 2 weeks ago
- Generate isosurface from density data☆14Updated 8 months ago
- Random symmetric initialization of crystals☆25Updated 8 years ago
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Crsytal simulation tools☆10Updated last week