Alternatives and similar repositories for MolRep

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

• pyli0628 / MPG
  ☆47Updated last year
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆155Updated 2 years ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆119Updated 2 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 4 years ago
• SY575 / CMPNN
  ☆76Updated last year
• uta-smile / RetroXpert
  ☆65Updated 4 years ago
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆190Updated 2 years ago
• OpenDrugAI / AttentiveFP
  ☆183Updated 2 years ago
• uta-smile / SMILES-BERT
  ☆49Updated 4 years ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆112Updated 9 months ago
• divelab / MoleculeX
  ☆167Updated 3 years ago
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆168Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆70Updated last year
• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆138Updated 2 years ago
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆77Updated 3 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated last year
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆37Updated 3 years ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆90Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆57Updated last year
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆187Updated 4 months ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆227Updated 3 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆114Updated 6 months ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆20Updated 6 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆50Updated 2 years ago
• kamikaze0923 / jtvae
  Junctional Tree Variational Auto-encoder
  ☆23Updated 5 years ago
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 2 years ago
• smiles724 / ProtMD
  ☆64Updated last week
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆122Updated last year
• molecule-one / megan
  Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"
  ☆62Updated 2 years ago