Alternatives and similar repositories for MolScaling

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

• Graph-COM / LRI
  [ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.
  ☆23Updated last year
• Graph-COM / Pair-Align
  [ICML 2024] Code for Pairwise Alignment Improves Graph Domain Adaptation (Pair-Align)
  ☆13Updated last year
• syr-cn / SimSGT
  [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
  ☆37Updated last year
• liugangcode / Data-Centric-Transfer
  [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…
  ☆21Updated last month
• IDEA-XL / InstructMol
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
  ☆47Updated 7 months ago
• SDS-Lab / ROT-Pooling
  Learnable Global Pooling Layers Based on Regularized Optimal Transport (ROT)
  ☆16Updated last year
• yangnianzu0515 / MoleOOD
  Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…
  ☆61Updated 2 years ago
• G-Taxonomy-Workgroup / GPSE
  Graph Positional and Structural Encoder
  ☆52Updated 5 months ago
• Namkyeong / CMRL
  The official source code for "Shift-Robust Molecular Relational Learning with Causal Substructure"
  ☆24Updated 2 years ago
• liugangcode / GREA
  [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
  ☆45Updated 3 months ago
• GraphPKU / PygHO
  A library for subgraph GNN based on pyg
  ☆41Updated 7 months ago
• BUPT-GAMMA / AAGOD
  ☆16Updated last year
• lenscloth / GRPE
  Official Implementation of "GRPE: Relative Positional Encoding for Graph Transformer"
  ☆58Updated 2 years ago
• Chen-Cai-OSU / MPNN-GT-Connection
  ☆20Updated 2 years ago
• BenGutteridge / DRew
  ☆31Updated last year
• BorgwardtLab / NeuralWalker
  Official Pytorch implementation of NeuralWalker (ICLR 2025)
  ☆33Updated 3 weeks ago
• HICAI-ZJU / iMoLD
  Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
  ☆21Updated last year
• toenshoff / LRGB
  ☆21Updated last year
• ChnQ / LLM4Mol
  Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"
  ☆38Updated 2 years ago
• Graph-COM / GESS
  Code for GeSS: Benchmarking Geometric Deep Learning under Scientific Applications with Distribution Shifts
  ☆16Updated 6 months ago
• AdrianArnaiz / DiffWire
  DiffWire: Inductive Graph Rewiring via the Lovász Bound. In Proceedings of the First Learning on Graphs Conference. 2022. Adrian Arnaiz-R…
  ☆19Updated 2 years ago
• CRIPAC-DIG / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆26Updated 3 weeks ago
• syr-cn / ReLM
  [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.
  ☆21Updated last year
• Namkyeong / CGIB
  The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".
  ☆42Updated 2 years ago
• zhao-ht / GIMLET
  The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
  ☆62Updated last year
• ChandlerBang / DeCorr
  [KDD 2022] Implementation of "Feature Overcorrelation in Deep Graph Neural Networks: A New Perspective"
  ☆45Updated last year
• zyzisastudyreallyhardguy / UGCL
  The open source code for ICDM2022 paper "Unifying Graph Contrastive Learning with Flexible Contextual Scopes"
  ☆21Updated 2 years ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated 2 years ago
• skeletondyh / GRED
  [ICML 2024] Recurrent Distance Filtering for Graph Representation Learning
  ☆15Updated last year
• shamim-hussain / egt_pytorch
  Edge-Augmented Graph Transformer
  ☆77Updated last year