Alternatives and similar repositories for EquiCSP

Users that are interested in EquiCSP 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 8 months ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆43Updated last week
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year
• lzhelin / CrystalDiffusion
  ☆10Updated 5 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆119Updated 2 months ago
• sadmanomee / ParetoCSP
  Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
  ☆15Updated last month
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆56Updated 3 weeks ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆60Updated 3 weeks ago
• michaeldalverson / CrysTens
  ☆26Updated 10 months ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆31Updated 2 weeks ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆16Updated 2 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆30Updated 4 months ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆22Updated 5 months ago
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆20Updated 2 years ago
• Shen-Group / E2GNN
  ☆16Updated 7 months ago
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• DeepSorption / DeepSorption1.0
  ☆12Updated last year
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆37Updated 4 months ago
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆14Updated 2 years ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆79Updated 2 years ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆45Updated 3 weeks ago
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆19Updated 9 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated last year
• usccolumbia / AlphaCrystal
  AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
  ☆11Updated last year
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆131Updated last year
• GTML-LAB / Equitorch
  ☆19Updated 3 weeks ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 6 months ago