Alternatives and similar repositories for FraGVAE

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

• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• 595693085 / ProteinDescriptor
  a protein descriptor for site prediction
  ☆16Updated 6 years ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆18Updated last year
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆23Updated 2 years ago
• CCPBioSim / CCP5_Simulation_of_BioMolecules
  ☆16Updated 2 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆21Updated 4 years ago
• kexinhuang12345 / MolDesigner-Public
  MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)
  ☆16Updated 4 years ago
• shiwentao00 / Pocket2Drug
  Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
  ☆22Updated 3 years ago
• Degiacomi-Lab / biobox
  a toolbox for the manipulation, modelling and analysis of molecular structures
  ☆27Updated 11 months ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆16Updated last year
• tsudalab / FL_ChemTS
  molecule design for fluorescence
  ☆12Updated 3 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆26Updated 6 months ago
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• LBLQMM / MACAW
  ☆14Updated 3 years ago
• oddt / notebooks
  Open Drug Discovery Toolkit (ODDT) Notebooks 101
  ☆19Updated 7 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 4 years ago
• RedesignScience / AlphaSpace2
  Protein surface topographical mapping tool
  ☆28Updated 2 years ago
• YoshidomeGroup-Hydration / gr-predictor
  ☆15Updated last month
• zielesny / ErtlFunctionalGroupsFinder
  ErtlFunctionalGroupsFinder for CDK
  ☆18Updated last year
• coleygroup / QM-augmented_GNN
  ☆20Updated 2 years ago
• agrybauskas / rotag
  A collection of tools that generate and analyse side-chain rotamer libraries
  ☆10Updated this week
• ChenGiuseppe / PyMM
  A Python program for QM/MM Simulations based on the Perturbed Matrix Method
  ☆26Updated last year
• dkoes / conformer_analysis
  ☆17Updated 2 years ago
• duaibeom-zz / MolFinder
  ☆17Updated 4 years ago
• fkaiserbio / fit3d
  🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…
  ☆11Updated 6 years ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆24Updated 2 years ago
• ncats / herg-ml
  ☆17Updated 2 years ago
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago