Alternatives and similar repositories for auroris

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

• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated last year
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆65Updated 5 months ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆43Updated last year
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆46Updated 2 years ago
• rdkit / PREFER
  ☆29Updated 2 years ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 7 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆43Updated 3 weeks ago
• ale94mleon / moldrug
  moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​
  ☆37Updated last month
• log-md / logmd
  ☆65Updated 6 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 8 months ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆35Updated 4 months ago
• datamol-io / splito
  Machine Learning dataset splitting for life sciences.
  ☆35Updated last year
• rinikerlab / overlapping_assays
  Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
  ☆41Updated last year
• MolecularAI / maize
  A graph-based workflow manager for computational chemistry pipelines
  ☆67Updated 7 months ago
• Augmented-Nature / ChEMBL-MCP-Server
  A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
  ☆68Updated 4 months ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆87Updated last week
• NoahHenrikKleinschmidt / buildamol
  A fragment-based molecular assembly toolkit
  ☆39Updated last month
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆48Updated 8 months ago
• oxpig / MolSnapper
  ☆51Updated 5 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆56Updated 4 months ago
• molecularinformatics / roshambo
  ☆89Updated last year
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆36Updated last year
• RPirie96 / RGMolSA
  ☆35Updated last year
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆23Updated 2 years ago
• torbengutermuth / SmartChemist
  ☆50Updated last month
• healx / lig3dlens
  ☆55Updated last month
• Aouidate / Chemoinformatics-compiliation
  In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them
  ☆32Updated 8 months ago
• coleygroup / sparrow
  ☆57Updated 4 months ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆43Updated last month
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆51Updated last month