Alternatives and similar repositories for CrystaLLM

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

• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆126Updated last month
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆91Updated last week
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆25Updated 10 months ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆114Updated last year
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆174Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆35Updated 2 years ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆51Updated 5 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆66Updated 5 months ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆126Updated this week
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆164Updated this week
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆80Updated 5 months 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.
  ☆36Updated 3 weeks ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆62Updated last year
• janosh / matbench-discovery
  An evaluation framework for machine learning models simulating high-throughput materials discovery.
  ☆197Updated last week
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆63Updated 11 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆133Updated 7 months ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated last year
• AIforGreatGood / charge3net
  [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials
  ☆65Updated 8 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆85Updated 2 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆75Updated 3 weeks ago
• MDIL-SNU / SevenNet
  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
  ☆201Updated this week
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆56Updated 2 years ago
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Neural Network Models for chemistry
  ☆171Updated last month
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆56Updated last month
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆24Updated last year
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆155Updated this week