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
  ☆110Updated 3 months ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆22Updated 5 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆61Updated 3 weeks ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, Matpes)
  ☆123Updated 2 weeks ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆43Updated 2 weeks ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆102Updated last month
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆68Updated 3 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆119Updated 2 months ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆97Updated this week
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆79Updated 2 years ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆61Updated last year
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆103Updated last year
• usnistgov / chemnlp
  ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data
  ☆76Updated 10 months ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆45Updated 3 weeks ago
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆157Updated 10 months ago
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆130Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆58Updated this week
• michaeldalverson / CrysTens
  ☆26Updated 10 months ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆57Updated 6 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆68Updated 3 weeks ago
• MDIL-SNU / SevenNet
  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
  ☆183Updated this week
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆142Updated last week
• usnistgov / alignn
  Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary
  ☆272Updated 2 months ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆76Updated 3 years ago
• materials-data-facility / matchem-llm
  A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
  ☆95Updated 11 months ago
• BingqingCheng / cace
  ☆80Updated this week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆58Updated 2 weeks ago
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆85Updated 10 months ago