Alternatives and similar repositories for smilesreading

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

• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆38Updated 2 years ago
• CBDD / pyMDmix
  ☆13Updated 4 months ago
• RPirie96 / RGMolSA
  ☆35Updated last year
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆54Updated 2 weeks ago
• knu-lcbc / MolForge
  ☆28Updated 2 years ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆52Updated 4 years ago
• healx / lig3dlens
  ☆55Updated last month
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆83Updated 10 months ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆48Updated 2 years ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆56Updated 3 years ago
• n-yoshikawa / retrosynthesis_bot
  Twitter retrosynthesis bot
  ☆13Updated 3 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆43Updated last month
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆36Updated last year
• PatWalters / workshop
  ☆65Updated 4 years ago
• pfizer-opensource / TorsionNet
  A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
  ☆39Updated 2 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆43Updated last year
• PatWalters / practicalcheminformatics
  ☆27Updated 4 years ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• carlesperez94 / frag_pele
  FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …
  ☆37Updated 4 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• otayfuroglu / deepQM
  ☆28Updated 6 months ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆63Updated last year
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆67Updated this week
• iwatobipen / chemo_info
  ☆31Updated 7 months ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 5 months ago
• rdkit / UGM_2024
  13th RDKit UGM. 11-13 September in Zurich, Switzerland
  ☆27Updated 11 months ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆61Updated 3 years ago