aimat-lab / 3DSC
Repo for the paper publishing the superconductor database with 3D crystal structures.
☆18Updated 3 months ago
Alternatives and similar repositories for 3DSC:
Users that are interested in 3DSC are comparing it to the libraries listed below
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- ☆22Updated 2 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆12Updated 7 months ago
- The Element Movers Distance for chemical composition similarity☆33Updated 3 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆35Updated 8 months ago
- ☆16Updated last year
- Materials Transformers☆24Updated 2 years ago
- ☆31Updated 4 years ago
- Generative deep learning model for inorganic materials☆18Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆40Updated this week
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 8 months ago
- ☆28Updated last year
- ☆28Updated 2 years ago
- FTCP code☆33Updated last year
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆39Updated 6 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 2 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated last year
- The Wren sits on its Roost in the Aviary.☆51Updated 2 weeks ago
- ☆10Updated last month
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆40Updated 2 years ago
- Wyckoff Inorganic Crystal Generator Framework☆21Updated last year
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆70Updated this week
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆36Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆35Updated 3 weeks ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆73Updated 6 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆17Updated last month
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago