Alternatives and similar repositories for DiffCSP

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

• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆51Updated 4 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]
  ☆25Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆86Updated this week
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆140Updated last year
• ixsluo / CrystalFlow
  ☆16Updated this week
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆101Updated 4 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆133Updated 3 weeks ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆25Updated last year
• wu-han-lin / CrysBFN
  ☆20Updated 3 months ago
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆95Updated last year
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆36Updated this week
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆125Updated last week
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆56Updated 2 years ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆106Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• sarpaykent / GotenNet
  [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks
  ☆50Updated 2 weeks ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆61Updated last year
• txie-93 / cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆330Updated last year
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆78Updated last year
• GTML-LAB / Equitorch
  ☆20Updated 4 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆64Updated 4 months ago
• sadmanomee / ParetoCSP
  Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
  ☆15Updated 5 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• NRC-Mila / OBELiX
  A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
  ☆34Updated 2 months ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆35Updated this week
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆24Updated 9 months ago
• NU-CUCIS / ALIGNNTL
  ☆11Updated last year
• usnistgov / alignn
  Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary
  ☆285Updated 2 months ago