Alternatives and similar repositories for Awesome-AI-for-Materials-Generation

Users that are interested in Awesome-AI-for-Materials-Generation are comparing it to the libraries listed below

• wu-han-lin / CrysBFN
  ☆20Updated 2 months ago
• yuanqidu / M2Hub
  ☆46Updated 8 months ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆102Updated last year
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆15Updated last year
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆124Updated 4 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆43Updated 2 years ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆77Updated 2 weeks ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆99Updated 3 months ago
• GLAD-RUC / HEGNN
  Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…
  ☆23Updated 9 months ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆60Updated 10 months ago
• vertaix / LLM-Prop
  A repository for the LLM-Prop implementation
  ☆46Updated last year
• yuanqidu / LeftNet
  ☆59Updated 8 months ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆53Updated last year
• OpenDFM / LLM4Chemistry
  [COLING 2025]A curated paper list about LLMs for chemistry
  ☆91Updated last week
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆111Updated last year
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆32Updated last month
• syr-cn / ReactXT
  [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…
  ☆22Updated last year
• c-tl / GeoMFormer
  ☆17Updated last year
• HowieHwong / sde-harness
  SDE-Harness (Scientific Discovery Evaluation Framework)
  ☆22Updated last week
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆48Updated 2 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆124Updated last year
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆32Updated 9 months ago
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆23Updated 8 months ago
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆30Updated last year
• BingSu12 / MoMu
  ☆24Updated 2 years ago
• omron-sinicx / crystalformer
  The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)
  ☆23Updated 5 months ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆82Updated 3 months ago
• DeepSorption / DeepSorption1.0
  ☆14Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆24Updated 10 months ago
• FanmengWang / MMPolymer
  [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"
  ☆38Updated 2 weeks ago