aimat-lab / 3DSC
Repo for the paper publishing the superconductor database with 3D crystal structures.
☆18Updated 5 months ago
Alternatives and similar repositories for 3DSC:
Users that are interested in 3DSC are comparing it to the libraries listed below
- ☆32Updated 4 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆41Updated 8 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- The Element Movers Distance for chemical composition similarity☆34Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 10 months ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- ☆16Updated last year
- ☆28Updated 3 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 9 months ago
- The Wren sits on its Roost in the Aviary.☆53Updated last week
- Mirror of http://zeoplusplus.org/☆9Updated 6 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 3 months ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated last year
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆25Updated last year
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated 2 years ago
- LimeSoup is a package to parse HTML or XML papers from different publishers.☆20Updated 4 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆17Updated 2 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆10Updated 11 months ago
- ☆26Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆36Updated 10 months ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆41Updated last week
- A software for automating materials science computations☆30Updated this week
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆32Updated 4 months ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- Materials Transformers☆25Updated 2 years ago
- Source code for generating materials with 20 space groups using PGCGM☆32Updated 2 years ago