Alternatives and similar repositories for DenseFS

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

• fimrie / DEVELOP
  ☆14Updated 3 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• agrybauskas / rotag
  A collection of tools that generate and analyse side-chain rotamer libraries
  ☆10Updated last week
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆20Updated 2 years ago
• jaimergp / autodocktools-prepare-py3k
  Python 3 fork for the preparation scripts contained in AutoDockTools
  ☆20Updated 3 years ago
• DLab / RIP-MD
  ☆15Updated 7 years ago
• ljmartin / dockop
  faster docking
  ☆19Updated 4 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆24Updated 4 months ago
• choderalab / neutromeratio
  Tautomer ratios in solution
  ☆26Updated 3 years ago
• wjm41 / soapgp
  Molecular Property Prediction using GP with a SOAP kernel
  ☆21Updated 4 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• oxpig / STRIFE
  ☆16Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• dkoes / GNINA-1.0
  Paper for release
  ☆11Updated 3 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
• ldomic / lintools
  Python script that creates 2D protein-ligand interaction images
  ☆14Updated 7 years ago
• gnina / scripts
  ☆26Updated last year
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated last year
• gersteinlab / STRESS
  ☆8Updated 6 years ago
• i-Molecule / bitenet
  Spatiotemporal identification of druggable binding sites using deep learning
  ☆22Updated 4 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 6 months ago
• ljmartin / mmpbsa_from_openmm
  example demonstrating a free energy estimation starting from OFF and OpenMM
  ☆11Updated 4 years ago
• UAMCAntwerpen / LEADD
  Lamarckian Evolutionary Algorithm for de novo Drug Design
  ☆27Updated 2 years ago
• Popov-Lab-UNC / DELi
  A package for calling DEL selections and running data analysis on the results
  ☆12Updated 2 weeks ago
• YoshidomeGroup-Hydration / gr-predictor
  ☆15Updated 4 months ago
• RedesignScience / AlphaSpace2
  Protein surface topographical mapping tool
  ☆28Updated last year
• Degiacomi-Lab / biobox
  a toolbox for the manipulation, modelling and analysis of molecular structures
  ☆27Updated 9 months ago
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆16Updated 10 months ago
• LBLQMM / MACAW
  ☆14Updated 3 years ago