Alternatives and similar repositories for molminer

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

• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• connorcoley / retrotemp
  Retrosynthesis by template prediction (a la Segler and Waller)
  ☆30Updated 7 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆46Updated 5 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 3 months ago
• rsc-ontology / rxno
  Name Reaction Ontology
  ☆44Updated 2 years ago
• rdkit / benchmarking_platform
  ☆29Updated 2 years ago
• yanfeiguan / chemprop-atom-bond
  Message Passing Neural Networks for Atomic/Bond Property Prediction
  ☆19Updated 5 years ago
• XinhaoLi74 / MolPMoFiT
  ☆45Updated 3 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• edbeard / ChemSchematicResolver
  Python toolkit for resolving chemical schematic diagrams.
  ☆43Updated 5 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆23Updated 5 years ago
• chembl / surechembl-data-client
  A collection of scripts for retrieving, storing, and querying SureChEMBL data.
  ☆41Updated last year
• connorcoley / scscore
  ☆108Updated 4 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆66Updated 5 years ago
• reymond-group / CASP-and-dataset-performance
  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
  ☆48Updated 4 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆65Updated last year
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆90Updated 4 years ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆61Updated 7 years ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆85Updated 3 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 3 years ago
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆28Updated last year
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆71Updated 6 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆66Updated last year
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• eloyfelix / blog_notebooks
  blogpost notebooks
  ☆20Updated 5 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆45Updated last year
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago