Bin-Cao / SimXRDLinks
[ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark
☆18Updated 2 months ago
Alternatives and similar repositories for SimXRD
Users that are interested in SimXRD are comparing it to the libraries listed below
Sorting:
- AI for crystal materials☆103Updated last week
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆38Updated 2 months ago
- ☆15Updated 2 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆137Updated 3 weeks ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆29Updated last year
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆30Updated last month
- Scalable graph neural networks for materials property prediction☆63Updated last year
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆66Updated 6 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆146Updated 3 months ago
- FTCP code☆36Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆85Updated 4 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- ☆18Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Updated 3 years ago
- ☆29Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- ☆35Updated 3 years ago
- A repository for the LLM-Prop implementation☆50Updated last year
- ☆13Updated last year
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆23Updated 3 years ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆100Updated last year
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆140Updated last month
- This is the code of KA-GNN☆84Updated 3 months ago
- Official implementation of DeepDFT model☆86Updated 2 years ago
- Large Language Models Material Miner☆51Updated 10 months ago
- The MOF website for property prediction and community engagement.☆38Updated 2 months ago
- An LLM system for the ultra-accurate (TPR=98.8%) prediction of the synthesizability and precursors of crystal structures☆33Updated 9 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆110Updated 2 months ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆149Updated 8 months ago
- An elementary MD simulation program written in python☆24Updated 4 years ago