Alternatives and similar repositories for MHNfs

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

• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆32Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• MolecularAI / exahustive_search_mol2mol
  ☆14Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• LanceKnight / MolKGNN
  MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…
  ☆13Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 4 years ago
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆39Updated 8 months ago
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆31Updated last year
• aivant / ShapeLinker
  ☆24Updated 3 weeks ago
• prescient-design / StrainRelief
  ☆28Updated 3 weeks ago
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆29Updated last year
• ETHmodlab / molecular_design_with_beam_search
  ☆23Updated 4 years ago
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆26Updated this week
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• biomed-AI / DiffDec
  ☆38Updated last year
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆26Updated 3 years ago
• AspirinCode / TransAntivirus
  Transformer-based molecular generative model for antiviral drug design
  ☆16Updated last year
• juanniwu / t-SMILES
  ☆39Updated 8 months ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆64Updated 2 months ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 3 years ago
• daenuprobst / molsetrep
  Molecular Set Representation Learning
  ☆50Updated 5 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆70Updated last year
• NumerionLabs / cslvae
  Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …
  ☆14Updated 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
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• Minys233 / Dynaformer
  ☆34Updated last year
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago