Alternatives and similar repositories for OPS-Knime

Users that are interested in OPS-Knime are comparing it to the libraries listed below

• 3D-e-Chem / 3D-e-Chem-VM
  Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows
  ☆17Updated 7 years ago
• salilab / pmi
  Python Modeling Interface
  ☆14Updated 2 weeks ago
• rasbt / siteinterlock
  A novel approach to pose selection in protein-ligand docking based on graph theory.
  ☆20Updated 9 years ago
• kmansouri / QSAR-ready
  Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
  ☆22Updated last year
• StefanKohlbacher / QuantPharmacophore
  Code available for the quantitative pharmacophores
  ☆12Updated 3 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆23Updated 5 years ago
• jrash / chemmodlab
  chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models
  ☆17Updated last month
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• ludovicchaput / FastTargetPred
  Target prediction
  ☆13Updated 5 years ago
• phi-grib / flame
  Modeling framework for eTRANSAFE project
  ☆13Updated 5 months ago
• xiaotaw / chembl
  Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
  ☆15Updated 7 years ago
• XiaohuaZhangLLNL / VinaLC
  A parallel molecular docking program based on AutoDock Vina
  ☆19Updated 3 months ago
• asadahmedtech / DEELIG
  Binding Affinity Prediction using Deep learning models
  ☆12Updated 4 years ago
• ncats / herg-ml
  ☆17Updated 3 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆28Updated 8 months ago
• choderalab / assaytools
  Modeling and Bayesian analysis of fluorescence and absorbance assays.
  ☆20Updated 4 years ago
• iwatobipen / vs_vina
  ☆13Updated 4 years ago
• moldyn / FastPCA
  Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.
  ☆11Updated 3 years ago
• czodrowskilab / Multiprotic-pKa-Processing
  ☆14Updated 3 years ago
• ncordeirfcup / QSAR-Co-X
  ☆14Updated 2 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• laeeq80 / multi-vina
  Dock Multiple Ligands with AutoDock Vina with one Command
  ☆11Updated 7 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• shub-bioinfo / Gromacs-scripts
  Gromacs molecular dynamics simulation analysis scripts
  ☆10Updated 3 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆17Updated 5 years ago
• jensengroup / fragbuilder
  fragbuilder is a tool to create, setup and analyze QM calculations on peptides.
  ☆15Updated 11 years ago
• MobleyLab / off-ffcompare
  Compare molecular structures after energy minimization in various force fields.
  ☆10Updated 5 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆18Updated 5 years ago
• rvhonorato / gdock
  Protein-Protein Docking using Genetic Algorithm
  ☆19Updated 3 weeks ago
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆40Updated 2 months ago