Alternatives and similar repositories for BiAAE

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

• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆66Updated 2 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 4 years ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• BenevolentAI / DeeplyTough
  DeeplyTough: Learning Structural Comparison of Protein Binding Sites
  ☆164Updated 2 years ago
• Shen-Lab / DeepAffinity
  Protein-compound affinity prediction through unified RNN-CNN
  ☆147Updated 10 months ago
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 4 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• BioinfoMachineLearning / DeepInteract
  A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)
  ☆64Updated 2 years ago
• aqlaboratory / hsm
  Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."
  ☆70Updated last year
• cansyl / DEEPScreen
  DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
  ☆113Updated 10 months ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• PaccMann / paccmann_rl
  Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6
  ☆32Updated 3 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated last year
• kiharalab / DOVE
  A Deep-learning based dOcking decoy eValuation mEthod
  ☆57Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• pcko1 / Deep-Drug-Coder
  A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…
  ☆188Updated 2 years ago
• cansyl / MDeePred
  Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
  ☆28Updated 4 years ago
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆36Updated 2 years ago
• shenwanxiang / bidd-molmap
  MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
  ☆141Updated last month
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 2 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆27Updated 7 years ago
• PaccMann / paccmann_datasets
  pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
  ☆28Updated 8 months ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• IBM / controlled-peptide-generation
  source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…
  ☆101Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• LLNL / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆91Updated last year
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆64Updated 3 years ago
• psipred / protein-vae
  Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies
  ☆87Updated last year
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago