Alternatives and similar repositories for CORE

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

• DS3Lab / RosENet
  ☆37Updated 4 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆23Updated 2 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆27Updated 4 years ago
• undeadpixel / reinvent-gdb13
  A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
  ☆30Updated 6 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• ml-jku / lsc
  Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
  ☆35Updated 5 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated 2 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆30Updated 2 years ago
• m-mokaya / RIOP
  ☆18Updated 2 years ago
• LBBSoft / DeepCDA
  DeepCDA
  ☆15Updated 5 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• SYSU-RCDD / QBMG
  QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network
  ☆19Updated 7 years ago
• fimrie / DEVELOP
  ☆14Updated 4 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆35Updated 3 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 5 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆20Updated 3 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated 2 years ago
• i-Molecule / bitenet
  Spatiotemporal identification of druggable binding sites using deep learning
  ☆22Updated 4 years ago
• gnina / scripts
  ☆27Updated 2 years ago
• skinnider / low-data-generative-models
  ☆21Updated 4 years ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆16Updated last year
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 4 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆32Updated last year
• lhirschfeld / ChempropUncertaintyQuantification
  Message Passing Neural Networks for Molecule Property Prediction
  ☆25Updated 5 years ago