ligand-based

There are 0 repository under ligand-based topic.

• taneishi / DeepLBVS

  Ligand-based Virtual Screening using Deep Learning

  ligand-basedvirtual-screeningdeep-learning
  Language:Python 16

• tsudalab / ACP4

  AutoCorrelation of Pharmacophore Features

  autocorrelationbinding-siteligand-basedocaml-programpharmacophorevirtual-screening
  Language:OCaml 15

• taneishi / PCA

  Principal Component Analysis with Python

  drug-discoveryligand-basedmorgan-fingerprintsprincipal-component-analysisvirtual-screening
  Language:Python 2

• Pharmacelera / Query-models-to-3DLBVS

  Data set (DUDE+ Diverse) and scripts from the article: On the relevance of query definition in the performance of 3D ligand-based virtual screening

  conformationligand-basedvirtual-screening
  Language:Python 0

• taneishi / HIV_dataset

  HIV Antiviral Screening dataset

  ligand-basedvirtual-screening
  Language:Python