MilesZhao / PGCGMLinks
Source code for generating materials with 20 space groups using PGCGM
☆33Updated 2 years ago
Alternatives and similar repositories for PGCGM
Users that are interested in PGCGM are comparing it to the libraries listed below
Sorting:
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆35Updated this week
- ☆10Updated last year
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆64Updated 4 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆25Updated last year
- FTCP code☆35Updated 2 years ago
- ☆26Updated last year
- Official implementation of DeepDFT model☆84Updated 2 years ago
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 7 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 3 years ago
- ☆29Updated 3 years ago
- Original implementation of CSPML☆27Updated 10 months ago
- ☆33Updated last month
- ☆20Updated 11 months ago
- ☆23Updated 3 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆36Updated 10 months ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆22Updated last year
- ☆34Updated 3 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- ☆10Updated 9 months ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆35Updated 2 years ago
- Active Learning for Machine Learning Potentials☆59Updated 2 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆125Updated last week
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆21Updated 6 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆51Updated 4 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆79Updated 3 years ago