kaist-amsg / CGCNN-HD
☆9Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for CGCNN-HD
- Composition-Conditioned Crystal GAN pytorch code☆41Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆38Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆22Updated 5 months ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆12Updated 4 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆14Updated this week
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 3 years ago
- A collection of tools and databases for atomistic machine learning☆46Updated 3 years ago
- Original implementation of CSPML☆21Updated last month
- ☆24Updated last year
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆15Updated last month
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆34Updated 5 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆15Updated last year
- Active Learning for Machine Learning Potentials☆45Updated 6 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆9Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆18Updated last week
- ☆14Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆34Updated last year
- ☆22Updated 3 months ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆39Updated 3 months ago
- Basic sanity checks for MOFs.☆22Updated last year
- ☆26Updated 2 years ago
- Charge equilibration method for crystal structures☆10Updated last year
- ☆24Updated 2 years ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆35Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆37Updated last week
- Python library for the construction of porous materials using topology and building blocks.☆57Updated 3 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆21Updated 2 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆24Updated 3 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆41Updated 5 months ago