Alternatives and similar repositories for GraSeq:

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

• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 4 years ago
• guaguabujianle / MGraphDTA
  ☆50Updated 8 months ago
• coleygroup / Graph2SMILES
  ☆55Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆64Updated last year
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆105Updated 7 months ago
• uta-smile / SMILES-BERT
  ☆47Updated 4 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆100Updated 10 months ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆43Updated 3 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆29Updated 2 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆46Updated last year
• JK-Liu7 / AttentionMGT-DTA
  ☆36Updated 10 months ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆181Updated 2 months ago
• stardj / PharmHGT
  Repo of pharmacophoric constrained heterogeneous-graph-transformer
  ☆17Updated 2 years ago
• SY575 / CMPNN
  ☆75Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆76Updated 2 years ago
• ZangXuan / HiMol
  ☆24Updated 2 years ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆73Updated last year
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆50Updated last year
• wzxxxx / MGA
  MGA
  ☆42Updated 4 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆110Updated 4 months ago
• divelab / MoleculeX
  ☆165Updated 3 years ago
• DirectMolecularConfGen / DMCG
  ☆53Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆34Updated 7 months ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 4 years ago
• ardigen / mol-cycle-gan
  Mol-CycleGAN - a generative model for molecular optimization
  ☆75Updated 6 years ago