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"
  ☆51Updated 4 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆132Updated 6 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated last year
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆25Updated last year
• ixsluo / CrystalFlow
  ☆16Updated this week
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆140Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆86Updated this week
• GTML-LAB / Equitorch
  ☆20Updated 4 months ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆64Updated 4 months ago
• lzhelin / CrystalDiffusion
  ☆10Updated 9 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆133Updated 3 weeks ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆36Updated this week
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆95Updated last year
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆35Updated this week
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆125Updated last week
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆21Updated 6 months ago
• sarpaykent / GotenNet
  [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks
  ☆50Updated 2 weeks ago
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆166Updated 2 weeks ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• NU-CUCIS / ALIGNNTL
  ☆11Updated last year
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆23Updated 2 years ago
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆78Updated last year
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• 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
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆77Updated 4 months ago
• sadmanomee / ParetoCSP
  Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
  ☆15Updated 5 months ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆112Updated last year
• NRC-Mila / OBELiX
  A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
  ☆34Updated 2 months ago