Alternatives and similar repositories for py2opsin

Users that are interested in py2opsin are comparing it to the libraries listed below

• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆62Updated last year
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆42Updated last month
• jvalegre / robert
  Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…
  ☆50Updated 2 weeks ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 2 months ago
• coleygroup / sparrow
  ☆55Updated last month
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated last month
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated 10 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 6 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆46Updated 2 months ago
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆48Updated 2 years ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆41Updated 2 weeks ago
• SEDenmarkLab / molli
  Molecular Library Toolbox
  ☆59Updated last week
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆72Updated 5 months ago
• hutchisonlab / QupKake
  Machine Learning model for molecular micro-pKa prediction
  ☆42Updated 11 months ago
• isayevlab / LoQI
  LoQI: Low Energy QM Informed Conformer Generation
  ☆22Updated last week
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆90Updated 3 weeks ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆148Updated 8 months ago
• NoahHenrikKleinschmidt / buildamol
  A fragment-based molecular assembly toolkit
  ☆38Updated 3 weeks ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 5 months ago
• Shualdon / QupKake
  ☆31Updated last year
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆66Updated 4 months ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆81Updated 7 months ago
• CrystalEye42 / OpenChemIE
  ☆78Updated last year
• samplchallenges / SAMPL9
  ☆30Updated last year
• chython / chython
  Library for processing molecules and reactions in python way
  ☆44Updated this week
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆97Updated last week
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆42Updated last month
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆27Updated 10 months ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆61Updated last year