Alternatives and similar repositories for TransVAE

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

• aksub99 / molecular-vae
  Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆65Updated 4 years ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• topazape / molecular-VAE
  Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
  ☆46Updated 4 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆58Updated 10 months ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆53Updated 3 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆114Updated 5 months ago
• PattanaikL / GeoMol
  ☆159Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆53Updated 4 months ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆139Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆29Updated 4 years ago
• wenhao-gao / mol_opt
  ☆209Updated last year
• gnina / models
  Trained caffe models
  ☆89Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆108Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆226Updated 3 years ago
• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆137Updated 2 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated last year
• Dierme / latent-gan
  An implementation of the Latent Gan as discribed in the publication [cite]
  ☆62Updated 4 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆51Updated last year
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆98Updated 10 months ago
• divelab / MoleculeX
  ☆166Updated 3 years ago
• BioinfoMachineLearning / bio-diffusion
  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)
  ☆202Updated last week
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆46Updated last year
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆41Updated 3 years ago
• IBM / QMO
  Code and data for QMO https://arxiv.org/abs/2011.01921
  ☆35Updated 3 years ago
• jaechanglim / DTI_PDBbind
  ☆32Updated 3 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆81Updated 7 months ago