Alternatives and similar repositories for 5minfame

Users that are interested in 5minfame are comparing it to the libraries listed below

• samplchallenges / SAMPL9
  ☆31Updated 2 years ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆46Updated last month
• LindeSchoenmaker / SMILES-corrector
  ☆29Updated 2 weeks ago
• PatWalters / EFMC
  Code to accompany "Practical Cheminformatics With Open Source Software"
  ☆16Updated 3 years ago
• PatWalters / practicalcheminformatics
  ☆27Updated 4 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆43Updated last year
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆49Updated 5 years ago
• KMNitesh05 / GROMACS_tutorial
  ☆40Updated 2 years ago
• RPirie96 / RGMolSA
  ☆35Updated last year
• mqcomplab / MultipleComparisons
  ☆40Updated 3 years ago
• suneelbvs / rdkit_tutorials
  rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
  ☆36Updated 3 months ago
• rdkit / PREFER
  ☆29Updated 2 years ago
• ljmartin / dockop
  faster docking
  ☆19Updated 4 years ago
• mahendra-awale / medchem_moves
  ☆49Updated 5 years ago
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆24Updated last year
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• PatWalters / workshop
  ☆66Updated 4 years ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated last year
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆47Updated 4 months ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated last year
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 4 years ago
• osmoai / osmordred
  Mordred port in cpp
  ☆54Updated 11 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆67Updated 3 weeks ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 5 years ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆44Updated 4 months ago
• wjm41 / soapgp
  Molecular Property Prediction using GP with a SOAP kernel
  ☆21Updated 5 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆29Updated last year
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆28Updated last week