Alternatives and similar repositories for molenc:

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

• UnixJunkie / FASMIFRA
  Molecular Generation by Fast Assembly of SMILES Fragments
  ☆53Updated 3 months ago
• SoftServeInc / yield-paper
  ☆11Updated 2 years ago
• hutchisonlab / molecular-entropies
  Data and analysis scripts for understanding molecular entropies, including conformer flexibility
  ☆11Updated 3 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆21Updated last month
• cyclica / deriver
  ☆10Updated last year
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• tsudalab / ACP4
  AutoCorrelation of Pharmacophore Features
  ☆15Updated last year
• iwatobipen / rdkit_pains
  pains filter using rdktit
  ☆11Updated 9 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• philspence / gendock
  Python package for virtual screening of generated molecules using autodock-vina and tensorflow
  ☆14Updated 3 years ago
• MDAnalysis / MDAnalysisData
  Access to data for workshops and extended tests of MDAnalysis.
  ☆15Updated 4 months ago
• dkoes / shapedb
  ☆15Updated 5 years ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆17Updated 2 years ago
• SENSAAS / sensaas
  Shape-based alignment of molecules using 3D point-based representation
  ☆20Updated 10 months ago
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆12Updated last year
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 4 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• PatWalters / silly_walks
  Identifying silly molecules
  ☆15Updated 2 years ago
• n-yoshikawa / ob-fragment-generation
  ☆12Updated 5 years ago
• jairesdesousa / guidemol
  GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
  ☆10Updated last year
• ambrishroy / LIGSIFT
  LIGSIFT: An open-source tool for ligand structural alignment and virtual screening
  ☆15Updated 6 years ago
• UAMCAntwerpen / LEADD
  Lamarckian Evolutionary Algorithm for de novo Drug Design
  ☆26Updated last year
• hstern2 / amsr
  Another Molecular String Representation
  ☆10Updated last week
• iwatobipen / chemo_info
  ☆32Updated 4 years ago
• insilichem / biometall
  BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization.
  ☆10Updated 8 months ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆32Updated last year
• tsudalab / rxngenerator
  A generative model for molecular generation via multi-step chemical reactions
  ☆12Updated 6 months ago