RishikeshMagar / Crystal-Twins
☆19Updated last year
Alternatives and similar repositories for Crystal-Twins:
Users that are interested in Crystal-Twins are comparing it to the libraries listed below
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆14Updated 3 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆77Updated 3 weeks ago
- Multi-modal conditioning diffusion model for MOFs generation☆18Updated 2 weeks ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆97Updated 6 months ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆44Updated last year
- Diffusion Probabilistic CDVAE☆22Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆36Updated last month
- ☆24Updated 2 years ago
- ☆28Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆42Updated 2 years ago
- Zeolite GAN☆21Updated 4 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆34Updated 7 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆44Updated 2 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆68Updated 2 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆83Updated last year
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆47Updated last year
- Scalable graph neural networks for materials property prediction☆49Updated 11 months ago
- Source code for generating materials with 20 space groups using PGCGM☆32Updated 2 years ago
- FTCP code☆32Updated last year
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆34Updated 5 years ago
- ☆10Updated 11 months ago
- ☆13Updated 5 months ago
- G-SchNet extension for SchNetPack☆52Updated 2 months ago
- ☆11Updated last year
- ☆22Updated 4 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆16Updated last month
- [TMLR 2023] Training and simulating MD with ML force fields☆106Updated 2 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆19Updated 4 months ago
- ☆44Updated last month
- ☆10Updated last year