sadmanomee / ParetoCSPLinks
Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
☆15Updated 2 months ago
Alternatives and similar repositories for ParetoCSP
Users that are interested in ParetoCSP are comparing it to the libraries listed below
Sorting:
- FTCP code☆34Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆43Updated last month
- ☆26Updated 10 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆23Updated 9 months ago
- Python library for the construction of porous materials using topology and building blocks.☆69Updated last month
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆33Updated last week
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆19Updated 3 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆62Updated 2 years ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Updated last year
- A text-guided diffusion model for crystal structure generation☆62Updated last month
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆22Updated 10 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆114Updated 3 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆112Updated 6 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 3 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆105Updated last year
- GRACE models and gracemaker (as implemented in TensorPotential package)☆61Updated 2 weeks ago
- Diffusion Probabilistic CDVAE☆24Updated last year
- ☆82Updated 3 weeks ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- BERTOS: transformer for oxidation state prediction☆14Updated 2 months ago
- Original implementation of CSPML☆24Updated 6 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆34Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆121Updated 3 months ago
- AI for crystal materials☆71Updated this week
- A system for rapid identification and analysis of metal-organic frameworks☆57Updated 7 months ago
- MACE foundation models (MP, OMAT, Matpes)☆131Updated last week
- ☆12Updated 8 months ago
- ☆17Updated 8 months ago