AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
☆10Aug 18, 2023Updated 2 years ago
Alternatives and similar repositories for AlphaCrystal
Users that are interested in AlphaCrystal are comparing it to the libraries listed below
Sorting:
- Symmetry prediction and knowledge discovery fromX-ray diffraction patterns using an interpretable machine learning approach☆21Dec 11, 2020Updated 5 years ago
- ☆20Oct 18, 2022Updated 3 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated 10 months ago
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Jul 6, 2017Updated 8 years ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 2 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆40Oct 22, 2025Updated 4 months ago
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 4 years ago
- FTCP code☆36Oct 11, 2023Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆139Updated this week
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆301Aug 25, 2025Updated 6 months ago
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆11Aug 5, 2024Updated last year
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆121Jun 7, 2021Updated 4 years ago
- ☆34Jul 14, 2024Updated last year
- CrySPY is a crystal structure prediction tool written in Python.☆145Oct 6, 2025Updated 5 months ago
- Automating the labelling of microstructure patterns in microscope images of welding joints☆11Jun 10, 2018Updated 7 years ago
- Tool to convert '.com' Gaussian files into files supported by 3D rendering programs, such as Blender, Maya, and others.☆13Jan 15, 2026Updated last month
- A job management system for python☆10Jan 16, 2026Updated last month
- Optimized Generative Adversarial Network with Graph Convolutional Networks for Novel Molecule Design☆12Jan 2, 2024Updated 2 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- ☆12Feb 14, 2024Updated 2 years ago
- YDB C++ SDK☆13Feb 13, 2026Updated 3 weeks ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- Building a choose-your-own-adventure story generator using the GTP-3 API☆10Aug 15, 2020Updated 5 years ago
- finetune script for SDXL adapted from waifu-diffusion trainer☆11Aug 21, 2023Updated 2 years ago
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆12Dec 27, 2023Updated 2 years ago
- Json formatter for slog-rs☆15Oct 5, 2025Updated 5 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Feb 19, 2024Updated 2 years ago
- Batch Calculator for Zeolite synthesis☆11Dec 14, 2024Updated last year
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 4 months ago
- A web application to unlock primary biodiversity data from published literature☆14Mar 3, 2020Updated 6 years ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆16Nov 28, 2023Updated 2 years ago
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated last year
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524…☆10Apr 24, 2022Updated 3 years ago