cjcourt / magdb
Tools for creating a MongoDB collection of ChemDataExtractor-snowball records
☆14Updated 5 years ago
Alternatives and similar repositories for magdb:
Users that are interested in magdb are comparing it to the libraries listed below
- ChemDataExtractor toolkit updated to include semi-supervised quaternary relationship extraction☆13Updated 4 years ago
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆13Updated 7 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆40Updated 2 years ago
- ☆36Updated 6 years ago
- Extracts tables into json format from HTML/XML files☆35Updated 4 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆12Updated 7 months ago
- Machine learning model for crystal lattice constant prediction☆14Updated 3 years ago
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆25Updated 6 years ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆18Updated 4 years ago
- MatDeepLearn for DOS prediction☆22Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- Generate random alloys and compute various properties☆51Updated 2 months ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆32Updated 2 years ago
- Automatic generation of crystal structure descriptions.☆110Updated last month
- A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/☆74Updated 3 weeks ago
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆53Updated 2 years ago
- ☆29Updated 3 years ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆53Updated 9 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 5 years ago
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆54Updated 7 months ago
- Representation Learning from Stoichiometry☆55Updated 2 years ago
- Codes for text-mined solid-state reactions dataset☆72Updated last year
- Deep learning for crystal-structure recognition and analysis of atomic structures☆40Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆56Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆27Updated last year
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- An automatic engine for predicting materials properties.☆144Updated last year
- Predict materials properties using only the composition information!☆98Updated last year