Alternatives and similar repositories for CrystalDiffusion

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

• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆22Updated 7 months ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆42Updated 5 months ago
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆14Updated 2 years ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆20Updated 9 months ago
• michaeldalverson / CrysTens
  ☆24Updated 9 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆38Updated last year
• cyye001 / Con-CDVAE
  ☆29Updated 6 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆52Updated last week
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• sadmanomee / ParetoCSP
  Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
  ☆15Updated 3 weeks ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 5 months ago
• gomes-lab / Mat2Spec
  ☆28Updated 3 years ago
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆18Updated 8 months ago
• Tinystormjojo / geo-CGNN
  ☆33Updated 10 months ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆91Updated last month
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆33Updated 4 months 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
• TRI-AMDD / PolyGen
  ☆14Updated 2 weeks ago
• Shen-Group / E2GNN
  ☆15Updated 7 months ago
• hyllios / CGAT
  Crystal graph attention neural networks for materials prediction
  ☆27Updated last year
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆21Updated 4 months ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆52Updated last week
• imagdau / aseMolec
  ☆25Updated last year
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆28Updated 3 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last month
• aimat-lab / graph_attention_student
  Minimal implementation of graph attention student model architecture
  ☆10Updated last week