Alternatives and similar repositories for MEGNet_PyTorch:

Users that are interested in MEGNet_PyTorch are comparing it to the libraries listed below

• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆38Updated 3 months ago
• PV-Lab / FTCP
  FTCP code
  ☆33Updated last year
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆19Updated 5 months ago
• Tinystormjojo / geo-CGNN
  ☆33Updated 8 months ago
• lzhelin / CrystalDiffusion
  ☆10Updated 2 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆111Updated 8 months ago
• michaeldalverson / CrysTens
  ☆24Updated 7 months ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆20Updated 7 months ago
• NU-CUCIS / ALIGNNTL
  ☆10Updated last year
• RishikeshMagar / Crystal-Twins
  ☆18Updated last year
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆23Updated 2 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆58Updated 2 years ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆90Updated last month
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆65Updated 3 months ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆18Updated 3 years ago
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆18Updated 3 months ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆36Updated 3 weeks ago
• mir-group / pair_allegro
  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
  ☆40Updated 5 months ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆56Updated last year
• hoffmannjordan / Encoding-Decoding-3D-Crystals
  "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…
  ☆35Updated 5 years ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆99Updated 2 months ago
• RishikeshMagar / OGCNN
  Crystal graph convolutional neural networks for predicting material properties.
  ☆32Updated 2 years ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆27Updated 2 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆36Updated 10 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆73Updated 2 years ago
• gomes-lab / Mat2Spec
  ☆28Updated 2 years ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆47Updated last year