Composition-Conditioned Crystal GAN pytorch code
☆41Feb 28, 2022Updated 4 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆40Nov 21, 2019Updated 6 years ago
- ☆11Jan 17, 2025Updated last year
- image-based generative model for inverse design of solid state materials☆44Feb 18, 2022Updated 4 years ago
- ☆16Aug 5, 2022Updated 3 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
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆371Aug 14, 2024Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- ☆12Jun 26, 2023Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Graph deep learning library for materials☆555Updated this week
- ☆22Aug 31, 2020Updated 5 years ago
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆30Jan 15, 2025Updated last year
- ☆18Sep 12, 2023Updated 2 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆111Dec 15, 2023Updated 2 years ago
- ☆19Oct 27, 2020Updated 5 years ago
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years ago
- Collective variables by artificial neural networks☆11Mar 16, 2022Updated 4 years ago
- ☆31Apr 17, 2022Updated 4 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆51May 3, 2026Updated last month
- Predict materials properties using only the composition information!☆129Apr 23, 2023Updated 3 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆22Jun 6, 2024Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- Public release of data and code for materials synthesis generation☆76Aug 11, 2022Updated 3 years ago
- All the codes and data used in "Inverse design of soft materials via a deep-learning-based evolutionary strategy", by G. M. Coli, E. Boat…☆12Oct 26, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆325Aug 25, 2025Updated 10 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆875Sep 6, 2021Updated 4 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- CmuMD implementation for PLUMED2☆24Aug 4, 2023Updated 2 years ago