Alternatives and similar repositories for medchem

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

• datamol-io / splito
  Machine Learning dataset splitting for life sciences.
  ☆36Updated last year
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆45Updated 2 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 4 months ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆91Updated 4 years ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 10 months ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆53Updated last year
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆68Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆77Updated 7 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆67Updated last week
• cimm-kzn / 3D-MIL-QSAR
  Conformer multi-instance machine Learning
  ☆59Updated 3 months ago
• rdkit / PREFER
  ☆29Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆85Updated last year
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆82Updated 2 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆53Updated 10 months ago
• molecularinformatics / roshambo
  ☆92Updated last year
• PatWalters / workshop
  ☆66Updated 4 years ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆45Updated 2 weeks ago
• polaris-hub / auroris
  Curate datasets with ease.
  ☆32Updated last year
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆48Updated 2 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 5 years ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆59Updated 2 months ago
• knu-lcbc / MolForge
  ☆31Updated 2 years ago
• microsoft / molskill
  Extracting medicinal chemistry intuition via preference machine learning
  ☆115Updated 2 years ago
• molecularinformatics / Computational-ADME
  ☆99Updated last year
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆53Updated 4 years ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆91Updated 9 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆64Updated last year
• coleygroup / sparrow
  ☆62Updated 6 months ago