lbvs

There are 0 repository under lbvs topic.

• UnixJunkie / ACPC

  Chemoinformatics tool for ligand-based virtual screening

  lbvschemoinformaticsligandocamlpartial-charges
  Language:OCaml 19

• UnixJunkie / molenc

  MolEnc: a molecular encoder using rdkit and OCaml.

  qsarchemoinformaticslbvsrdkitpython-scriptocaml-programchemical-fingerprintsignature-molecular-descriptormolecular-encodingatom-pairspharmacophore-pointscounted-unfolded-fingerprint
  Language:OCaml 18

• UnixJunkie / align-it

  backup of silicos-it's align-it-1.0.4

  pharmacophorelbvsligand
  Language:C++ 9

• UnixJunkie / consent

  ligand-based virtual screening with consensus queries

  chemoinformaticsligandlbvsconsensuschemicalfingerprintmaccsecfp4ocamlmolprint2d
  Language:OCaml 8

• UnixJunkie / hts_shrink

  Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

  htslbvsocaml-programchemoinformaticsapplicability-domaincaddsample-selectionparzen-windowbandwidth-selectionqsar
  Language:OCaml 7

• UnixJunkie / rankers

  Reference implementation of the Vanishing Ranking Kernels (VRK) method

  ocaml-programhtsqsarlbvschemoinformaticsbandwidth-selectionapplicability-domainclassificationcaddkdevrk
  Language:OCaml 6

• UnixJunkie / lbvs_no_decoys

  Two datasets for Ligand-Based Virtual Screening benchmarking without decoys

  datasetlbvschemoinformatics
  2

• KeyanGootkin / P-Cygni-Spectropolarimetry

  Code for spectropolarimetric analysis of the LBV star P-Cygni.

  polarimetrylbvs
  Language:Jupyter Notebook 0