An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
☆368Aug 14, 2024Updated last year
Alternatives and similar repositories for cdvae
Users that are interested in cdvae are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆165Apr 14, 2025Updated 11 months ago
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆308Aug 25, 2025Updated 7 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆65Feb 5, 2026Updated 2 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Crystal graph convolutional neural networks for predicting material properties.☆844Sep 6, 2021Updated 4 years ago
- Graph deep learning library for materials☆527Apr 3, 2026Updated last week
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆109Dec 15, 2023Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated last month
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆181Oct 29, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated last year
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆318Apr 7, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆116Mar 9, 2026Updated last month
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆41Oct 22, 2025Updated 5 months ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆555Apr 27, 2023Updated 2 years ago
- AI for crystal materials☆124Apr 3, 2026Updated last week
- A Foundation Model for Crystal Structure Generation and Prediction☆138Mar 31, 2026Updated last week
- A Large Language Model of the CIF format for Crystal Structure Generation☆157Mar 16, 2026Updated 3 weeks ago
- Wyckoff Inorganic Crystal Generator Framework☆28Mar 7, 2025Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Large language models to generate stable crystals.☆117Jun 18, 2024Updated last year
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆374Feb 19, 2026Updated last month
- FAIR Chemistry's library of machine learning methods for chemistry☆2,037Updated this week
- ☆26Aug 19, 2024Updated last year
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,132Updated this week
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆44Feb 15, 2023Updated 3 years ago
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.