Alternatives and similar repositories for ParetoCSP

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

• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆51Updated 3 months ago
• PV-Lab / FTCP
  FTCP code
  ☆35Updated last year
• michaeldalverson / CrysTens
  ☆26Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated 11 months ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆34Updated 2 months ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆117Updated 6 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆73Updated 4 months ago
• usccolumbia / AlphaCrystal
  AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
  ☆10Updated 2 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆64Updated 4 months ago
• Shen-Group / E2GNN
  ☆20Updated 11 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆128Updated this week
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆19Updated 3 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆65Updated 2 years ago
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆33Updated 2 years ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆84Updated 2 weeks ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆74Updated 2 weeks ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆110Updated last year
• usccolumbia / BERTOS
  BERTOS: transformer for oxidation state prediction
  ☆15Updated 5 months ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆27Updated 9 months ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆24Updated last year
• RyotaroOKabe / SCIGEN
  Structural constraint integration in a generative model for the discovery of quantum materials
  ☆18Updated this week
• NU-CUCIS / ALIGNNTL
  ☆10Updated last year
• BingqingCheng / cace
  ☆94Updated last week
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆127Updated 5 months ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆20Updated 6 months ago
• tobacco-mofs / tobacco_3.0
  ☆61Updated 4 years ago
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆84Updated 2 weeks ago
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆28Updated 2 years ago
• NRC-Mila / OBELiX
  A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes
  ☆34Updated last month