Alternatives and similar repositories for mgenerators-failure-modes

Users that are interested in mgenerators-failure-modes are comparing it to the libraries listed below

• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• leojklarner / Q-SAVI
  Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
  ☆24Updated 2 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated last year
• michael1788 / hybridCLMs
  Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»
  ☆11Updated 3 years ago
• josejimenezluna / xaibench_tf
  Supporting models and data to doi 10.1021/acs.jcim.1c01163
  ☆15Updated 3 years ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆24Updated 2 years ago
• ml-jku / MHNfs
  ☆20Updated last year
• Guannan1900 / GraphDTI
  ☆12Updated 4 years ago
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 3 years ago
• ryienh / graph-dock
  GNN enabled surrogate modeling for chemical docking
  ☆15Updated 3 years ago
• alicetinglab / ConformationalBiasing
  Code for designing biased protein states
  ☆15Updated 3 weeks ago
• aivant / ShapeLinker
  ☆24Updated last year
• cyclica / deriver
  ☆11Updated 2 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…
  ☆37Updated 3 years ago
• adaptyvbio / ProtFill
  Inpainting protein sequence and structure
  ☆12Updated 2 years ago
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆31Updated last year
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆20Updated 3 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• ETHmodlab / molecular_design_with_beam_search
  ☆23Updated 4 years ago
• brianhie / uncertainty
  Learning with uncertainty for biological discovery and design
  ☆34Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• ml-jku / Prot-xLSTM
  ☆12Updated 3 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆21Updated 4 years ago
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 4 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆42Updated last year
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆27Updated 7 months ago
• schwallergroup / fsscore
  ☆21Updated last year
• johnyang101 / pmpnndiff
  Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion
  ☆18Updated last year