Alternatives and similar repositories for mordred-community

Users that are interested in mordred-community are comparing it to the libraries listed below

• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆72Updated 6 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 7 months ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 7 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆80Updated 6 months ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆48Updated 2 months ago
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆107Updated last week
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆148Updated 9 months ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆57Updated 11 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆117Updated last month
• molecularinformatics / Computational-ADME
  ☆95Updated last year
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆90Updated 4 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆82Updated 9 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆54Updated 4 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆139Updated 11 months ago
• molecularinformatics / roshambo
  ☆89Updated last year
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆98Updated this week
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆72Updated 4 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆153Updated last month
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆88Updated last year
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated 11 months ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆91Updated 2 years ago
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆147Updated 2 years ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆66Updated last week
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆79Updated 3 months ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated 2 weeks ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆63Updated last year
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆193Updated last month
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆94Updated 11 months ago
• mayrf / pkasolver
  toolkit for prediction pKa values of small molecules via graph convolutional networks
  ☆64Updated 2 years ago