Alternatives and similar repositories for MolGen

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

• MolecularAI / ReinventCommunity
  ☆174Updated 3 years ago
• devalab / molgpt
  ☆169Updated 2 years ago
• CDDLeiden / DrugEx
  De Novo Drug Design with RNNs and Transformers
  ☆167Updated this week
• jkwang93 / MCMG
  MCMG_V1
  ☆76Updated 3 years ago
• koziarskilab / RGFN
  Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)
  ☆27Updated 8 months ago
• MolecularAI / Lib-INVENT
  ☆64Updated 2 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆205Updated 11 months ago
• wenhao-gao / synformer
  ☆73Updated last year
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆65Updated last year
• jaechanglim / GGM
  graph generative model for molecule
  ☆42Updated 6 years ago
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆222Updated 3 weeks ago
• oxpig / DeLinker
  ☆135Updated 3 years ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆85Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆106Updated last year
• gnina / models
  Trained caffe models
  ☆97Updated 2 years ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆43Updated 2 years ago
• Jamson-Zhong / Graph2Edits
  ☆39Updated 2 years ago
• sc8668 / GenScore
  ☆40Updated last year
• DrugBud-Suite / CADD_Vault
  ☆63Updated 10 months ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆50Updated 4 years ago
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆93Updated 6 years ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆109Updated 2 weeks ago
• molecularinformatics / Computational-ADME
  ☆100Updated last year
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆201Updated 3 years ago
• recursionpharma / synflownet-boltz
  ☆64Updated 7 months ago
• connorcoley / rdchiral
  Wrapper for RDKit's RunReactants to improve stereochemistry handling
  ☆184Updated 2 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆52Updated 5 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆69Updated last year
• gaojianl / KnoMol
  ☆14Updated last year