Alternatives and similar repositories for molbloom

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

• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆121Updated last week
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated this week
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆150Updated 2 weeks ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆59Updated this week
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 3 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆129Updated 3 weeks ago
• MolecularAI / maize
  A graph-based workflow manager for computational chemistry pipelines
  ☆66Updated 5 months ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆79Updated 2 weeks ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 6 months ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆196Updated 7 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆76Updated last year
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆64Updated 4 months ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆91Updated 2 years ago
• molecularinformatics / roshambo
  ☆85Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆89Updated 2 weeks ago
• whitead / molcloud
  Make a bunch of molecules
  ☆96Updated 9 months ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated 9 months ago
• josejimenezluna / delfta
  Δ-QML for medicinal chemistry
  ☆102Updated 4 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated 2 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• NVIDIA-Digital-Bio / nvMolKit
  A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…
  ☆126Updated this week
• Mishima-syk / psikit
  psi4+RDKit
  ☆102Updated 4 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated 2 months ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆102Updated last week
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆106Updated last year
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆83Updated this week
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆56Updated 8 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆42Updated last week
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago