KanHatakeyama / Integrating-multiple-materials-science-projectsLinks
☆14Updated 3 years ago
Alternatives and similar repositories for Integrating-multiple-materials-science-projects
Users that are interested in Integrating-multiple-materials-science-projects are comparing it to the libraries listed below
Sorting:
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated 2 years ago
- Data Science for Materials Science☆65Updated this week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆33Updated 3 weeks ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- A one-stop-shop for handling data in computational spectroscopy☆16Updated this week
- ☆20Updated last year
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆31Updated last year
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- ☆34Updated 3 years ago
- ☆18Updated 8 years ago
- The course materials for "Machine Learning in Chemistry 101"☆82Updated 4 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- A software for automating materials science computations☆33Updated last week
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Python library written in C++ for calculation of local atomic structural environment☆68Updated last year
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆38Updated 3 years ago
- Materials Design by Monte Carlo Tree Search☆35Updated 3 years ago
- ☆30Updated 4 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆43Updated 2 weeks ago
- ☆21Updated last year
- ☆12Updated 5 years ago
- The Wren sits on its Roost in the Aviary.☆60Updated 2 months ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 3 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆28Updated 5 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆14Updated last year
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆21Updated 4 years ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago