Alternatives and similar repositories for faerun-python

Users that are interested in faerun-python are comparing it to the libraries listed below

• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆86Updated 4 months ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 4 months ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆119Updated 2 years ago
• reymond-group / mhfp
  Molecular MHFP fingerprints for cheminformatics applications
  ☆97Updated 2 years ago
• tridentbio / trident-chemwidgets
  Jupyter Widgets to interact with molecular datasets.
  ☆32Updated 3 years ago
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆59Updated 6 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Updated last year
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆54Updated 3 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆59Updated this week
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 7 months ago
• iwatobipen / chemo_info
  ☆32Updated 9 months ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 4 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 9 years ago
• PatWalters / metk
  Model Evaluation Toolkit
  ☆27Updated 6 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 2 months ago
• GPCRviz / flareplot
  Visualization tool for changing networks
  ☆20Updated 7 years ago
• lhm30 / PIDGINv3
  Protein target prediction using random forests and reliability-density neighbourhood analysis
  ☆41Updated 5 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated last week
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• chembl / surechembl-data-client
  A collection of scripts for retrieving, storing, and querying SureChEMBL data.
  ☆41Updated last year
• jrwnter / gruenifai
  Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space
  ☆31Updated 3 years ago
• rasbt / smilite
  A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
  ☆83Updated 5 years ago
• MarcusOlivecrona / MolExplorer
  A lightweight visualization tool for molecules and their properties
  ☆15Updated 8 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆128Updated 5 months ago
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆44Updated last week
• Merck / DeepNeuralNet-QSAR
  ☆65Updated 7 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago