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

• syr-cn / ReactXT
  [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…
  ☆21Updated 10 months ago
• syr-cn / ReLM
  [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.
  ☆21Updated last year
• OpenDFM / LLM4Chemistry
  [COLING 2025]A curated paper list about LLMs for chemistry
  ☆80Updated last week
• syr-cn / SimSGT
  [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
  ☆37Updated last year
• zhao-ht / GIMLET
  The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
  ☆62Updated last year
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated 2 years ago
• c-tl / GeoMFormer
  ☆16Updated last year
• wu-han-lin / CrysBFN
  ☆19Updated 2 weeks ago
• BingSu12 / MoMu
  ☆24Updated 2 years ago
• HICAI-ZJU / iMoLD
  Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
  ☆21Updated last year
• NYUSHCS / MolecularGPT
  ☆35Updated last year
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆48Updated last month
• ChnQ / LLM4Mol
  Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"
  ☆38Updated 2 years ago
• Graph-and-Geometric-Learning / MolGroup
  Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023
  ☆19Updated last year
• yangnianzu0515 / MoleOOD
  Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…
  ☆61Updated 2 years ago
• GLAD-RUC / GGNN4Science
  ☆126Updated last month
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆38Updated 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…
  ☆21Updated 8 months ago
• KehanGuo2 / MolPuzzle
  [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation
  ☆14Updated 4 months ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆121Updated 2 years ago
• Graph-COM / GESS
  Code for GeSS: Benchmarking Geometric Deep Learning under Scientific Applications with Distribution Shifts
  ☆16Updated 6 months ago
• ddz16 / MoMu
  The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".
  ☆28Updated 2 years ago
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆30Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆122Updated last year
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆33Updated last year
• FanmengWang / MMPolymer
  [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"
  ☆25Updated last month
• liugangcode / GREA
  [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
  ☆45Updated 3 months ago
• IDEA-XL / InstructMol
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
  ☆47Updated 7 months ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆75Updated last month
• ChemFoundationModels / ChemLLMBench
  What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
  ☆152Updated 11 months ago