xiaohang007 / SLICESLinks
SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
☆106Updated 2 months ago
Alternatives and similar repositories for SLICES
Users that are interested in SLICES are comparing it to the libraries listed below
Sorting:
- FTCP code☆34Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆22Updated 4 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆105Updated 4 months ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆95Updated 3 weeks ago
- MACE foundation models (MP, OMAT, Matpes)☆111Updated 2 months ago
- Matbench: Benchmarks for materials science property prediction☆156Updated 9 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆42Updated 5 months ago
- AI for crystal materials☆54Updated this week
- ☆24Updated 9 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆68Updated 2 months ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆179Updated last week
- A text-guided diffusion model for crystal structure generation☆56Updated this week
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆115Updated last month
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆42Updated this week
- Python library for the construction of porous materials using topology and building blocks.☆68Updated this week
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆94Updated 10 months ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated 9 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆157Updated last week
- A repository for implementing graph network models based on atomic structures.☆84Updated 9 months ago
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆84Updated 3 months ago
- A python library for calculating materials properties from the PES☆88Updated last week
- A system for rapid identification and analysis of metal-organic frameworks☆55Updated 5 months ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- DeePMD-kit plugin for various graph neural network models☆46Updated last week
- Automatic generation of crystal structure descriptions.☆117Updated last week
- ☆77Updated 3 weeks ago
- ☆54Updated 4 years ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆15Updated 3 weeks ago
- Crystal Graph Convolutional Neural Networks tutorial☆25Updated 2 years ago