kaist-amsg / Composition-Conditioned-Crystal-GANView external linksLinks
Composition-Conditioned Crystal GAN pytorch code
☆42Feb 28, 2022Updated 3 years ago
Alternatives and similar repositories for Composition-Conditioned-Crystal-GAN
Users that are interested in Composition-Conditioned-Crystal-GAN are comparing it to the libraries listed below
Sorting:
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Nov 21, 2019Updated 6 years ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆36Nov 7, 2019Updated 6 years ago
- ☆11Jan 17, 2025Updated last year
- ☆16Aug 5, 2022Updated 3 years ago
- image-based generative model for inverse design of solid state materials☆42Feb 18, 2022Updated 3 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆358Aug 14, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Generative deep learning model for inorganic materials☆19Mar 24, 2023Updated 2 years ago
- FTCP code☆36Oct 11, 2023Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆30Jan 15, 2025Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- ☆22Aug 31, 2020Updated 5 years ago
- Graph deep learning library for materials☆509Updated this week
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- Wyckoff Inorganic Crystal Generator Framework☆28Mar 7, 2025Updated 11 months ago
- Predict materials properties using only the composition information!☆120Apr 23, 2023Updated 2 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆110Dec 15, 2023Updated 2 years ago
- ☆19Oct 27, 2020Updated 5 years ago
- ☆18Sep 12, 2023Updated 2 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆49Feb 9, 2026Updated last week
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆551Apr 27, 2023Updated 2 years ago
- ☆29Apr 17, 2022Updated 3 years ago
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆17Jun 9, 2021Updated 4 years ago
- Public release of data and code for materials synthesis generation☆75Aug 11, 2022Updated 3 years ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆21Jul 4, 2023Updated 2 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆297Aug 25, 2025Updated 5 months ago
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 5 years ago
- Space Group Informed Transformer for Crystalline Materials Generation☆132Jul 19, 2025Updated 6 months ago
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated last year
- XenonPy is a Python Software for Materials Informatics☆149Jul 15, 2024Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆820Sep 6, 2021Updated 4 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Jun 6, 2024Updated last year
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 4 years ago