aimat-lab / perovskite_htm_screeningLinks
Code for paper "Accelerating the discovery of materials for integrated/complex device"
☆14Updated 2 years ago
Alternatives and similar repositories for perovskite_htm_screening
Users that are interested in perovskite_htm_screening are comparing it to the libraries listed below
Sorting:
- ☆11Updated last year
- Zeolite GAN☆25Updated 5 years ago
- ☆69Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆29Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆38Updated 2 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆137Updated 3 weeks ago
- AI for crystal materials☆103Updated last week
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆23Updated last year
- ☆15Updated 2 years ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆149Updated 8 months ago
- Datasets for benchmarking machine learning models for predicting Li-ion migration☆27Updated 7 months ago
- ☆26Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆146Updated 3 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆60Updated last month
- Implementation of Materials Discovery with Extreme properties via AI-Driven Combinatorial Chemistry☆10Updated last year
- ☆26Updated 2 months ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆21Updated 4 years ago
- MACE foundation models (MP, OMAT, Matpes)☆187Updated last month
- A repository for implementing graph network models based on atomic structures.☆102Updated last year
- ☆24Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Updated last year
- A collection of Neural Network Models for chemistry☆176Updated last month
- A toolkit featured artificial intelligence × ab initio for computational chemistry research.☆85Updated last week
- ☆10Updated 4 months ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆63Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆27Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- Heat capacity predictor for porous materials☆13Updated last year
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆32Updated last year
- Matbench: Benchmarks for materials science property prediction☆178Updated last year