Alternatives and similar repositories for DiffCSP-PP

Users that are interested in DiffCSP-PP are comparing it to the libraries listed below

• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆125Updated 5 months ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆24Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆24Updated 11 months ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆80Updated 3 weeks ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆35Updated last year
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆62Updated 3 months ago
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆93Updated last year
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated last year
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆48Updated this week
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆137Updated last year
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆34Updated 2 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆122Updated 8 months ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆25Updated last year
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆116Updated 5 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆82Updated 2 years ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆33Updated last month
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆72Updated 3 months ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆120Updated 4 months ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆20Updated 5 months ago
• NRC-Mila / OBELiX
  A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
  ☆32Updated 2 weeks ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• lzhelin / CrystalDiffusion
  ☆10Updated 7 months ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆99Updated 3 months ago
• BingqingCheng / cace
  ☆90Updated last week
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆24Updated 8 months ago
• DeepSorption / DeepSorption1.0
  ☆14Updated 2 years ago
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆21Updated 2 years ago