Alternatives and similar repositories for global-chem

Users that are interested in global-chem are comparing it to the libraries listed below

• whitead / molbloom
  Molecular bloom filter tool
  ☆121Updated last week
• Mishima-syk / psikit
  psi4+RDKit
  ☆102Updated 3 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆75Updated last year
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• cbouy / mols2grid
  Interactive molecule viewer for 2D structures
  ☆223Updated last week
• mcs07 / CIRpy
  Python wrapper for the NCI Chemical Identifier Resolver (CIR)
  ☆127Updated last year
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆59Updated 2 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆125Updated this week
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆83Updated 2 years ago
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆143Updated this week
• whitead / molcloud
  Make a bunch of molecules
  ☆96Updated 9 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆137Updated 10 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆69Updated 3 months ago
• choderalab / perses
  Experiments with expanded ensembles to explore chemical space
  ☆192Updated 7 months ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated last year
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆64Updated 11 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆72Updated last year
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆148Updated 8 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆147Updated last week
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆105Updated last month
• zotko / xyz2graph
  Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
  ☆86Updated last week
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆119Updated 2 weeks ago
• microsoft / molskill
  Extracting medicinal chemistry intuition via preference machine learning
  ☆111Updated last year
• rociomer / dl-chem-101
  Example implementations of common machine learning projects in chemistry.
  ☆173Updated last year
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆105Updated 3 weeks ago
• jvalegre / aqme
  Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…
  ☆114Updated 3 weeks ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆174Updated 5 years ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆128Updated last week
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated last month
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆179Updated 3 months ago