Alternatives and similar repositories for EquiCSP:

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

• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆40Updated 4 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆19Updated 6 months ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year
• lzhelin / CrystalDiffusion
  ☆10Updated 3 months ago
• michaeldalverson / CrysTens
  ☆24Updated 7 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆112Updated 9 months ago
• PV-Lab / FTCP
  FTCP code
  ☆33Updated last year
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆75Updated 8 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆37Updated 2 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆75Updated 2 years ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆28Updated 2 months ago
• matbench-submission-coGN / CrystalGNNs
  ☆10Updated last year
• cyye001 / Con-CDVAE
  ☆26Updated 4 months ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆31Updated 2 months ago
• NU-CUCIS / ALIGNNTL
  ☆10Updated last year
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆36Updated 10 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆99Updated 3 months ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆32Updated 2 years ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆47Updated last year
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆12Updated last week
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆56Updated 5 months ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 3 months ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆84Updated this week
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆20Updated 3 months ago
• mir-group / pair_allegro
  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
  ☆40Updated 5 months ago
• sadmanomee / ParetoCSP
  Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
  ☆11Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆37Updated 2 weeks ago
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆18Updated 2 years ago
• GTML-LAB / Equitorch
  ☆17Updated 4 months ago