aimat-lab / 3DSCLinks
Repo for the paper publishing the superconductor database with 3D crystal structures.
☆24Updated last year
Alternatives and similar repositories for 3DSC
Users that are interested in 3DSC are comparing it to the libraries listed below
Sorting:
- ☆29Updated 3 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆28Updated 3 years ago
- The Element Movers Distance for chemical composition similarity☆36Updated 10 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆72Updated 3 months ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Updated 6 years ago
- Materials Transformers☆25Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Wyckoff Inorganic Crystal Generator Framework☆27Updated 10 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Updated 3 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆33Updated last year
- Structural constraint integration in a generative model for the discovery of quantum materials☆25Updated 3 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆15Updated last year
- ☆35Updated 3 years ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆71Updated 11 months ago
- The Wren sits on its Roost in the Aviary.☆61Updated 3 weeks ago
- ☆35Updated 4 months ago
- ☆18Updated 2 years ago
- ☆37Updated 2 years ago
- Tutorials for using the pymatgen library☆66Updated 8 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated 2 years ago
- A text-guided diffusion model for crystal structure generation☆74Updated 8 months ago
- FTCP code☆36Updated 2 years ago
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆25Updated last year
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆81Updated 6 months ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Updated 5 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆45Updated last year
- Crystal graph attention neural networks for materials prediction☆30Updated 2 years ago