Alternatives and similar repositories for DrugGEN

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

• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…
  ☆92Updated 3 months ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆50Updated 4 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆72Updated last year
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆65Updated 7 months ago
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆105Updated last year
• CSUBioGroup / DTIAM
  A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.
  ☆53Updated 6 months ago
• zhaoqichang / AttentionDTA_TCBB
  AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism
  ☆15Updated 4 years ago
• llnl / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆92Updated 2 years ago
• GIST-CSBL / DeepConv-DTI
  DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
  ☆78Updated 3 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆90Updated 2 years ago
• DeepRank / Deeprank-GNN
  Graph Network for protein-protein interface
  ☆121Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆72Updated 10 months ago
• samsledje / ConPLex_dev
  ☆54Updated last year
• wzxxxx / MGA
  MGA
  ☆44Updated 5 years ago
• CSUBioGroup / GraphscoreDTA
  A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity
  ☆31Updated last year
• akensert / molgraph
  Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.
  ☆61Updated 5 months ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆76Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆59Updated last year
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆97Updated 2 years ago
• ninglab / DiffSMol
  ☆43Updated 6 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆68Updated 2 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆205Updated 11 months ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆50Updated 4 years ago
• Layne-Huang / CoaDTI
  Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2
  ☆18Updated 2 years ago
• Layne-Huang / PMDM
  ☆145Updated 5 months ago
• lifanchen-simm / transformerCPI2.0
  Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…
  ☆77Updated 2 years ago
• ChengF-Lab / ImageMol
  ☆47Updated 2 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆77Updated last year
• JU-HuaY / MFR
  ☆10Updated 2 years ago
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆56Updated 11 months ago