Alternatives and similar repositories for Helium

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

• timvdm / Smiley
  An OpenSMILES compliant C++ SMILES/SMARTS parser
  ☆15Updated 9 years ago
• hutchisonlab / molecular-entropies
  Data and analysis scripts for understanding molecular entropies, including conformer flexibility
  ☆11Updated 4 years ago
• pandegroup / vs-utils
  Virtual screening and cheminformatics utilities
  ☆14Updated 9 years ago
• openforcefield / smarty
  Chemical perception tree automated exploration tool.
  ☆19Updated 6 years ago
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• SiMolecule / centres
  Perception and labelling of stereogenic centres in chemical structures
  ☆18Updated last year
• n-yoshikawa / ob-fragment-generation
  ☆12Updated 6 years ago
• skearnes / rdkit-utils
  Utilities for working with the RDKit
  ☆20Updated 8 years ago
• dkoes / shapedb
  ☆16Updated 6 years ago
• SqrtNegInf / SMARTS
  SMARTS: 'regular expressions' for chemical structures
  ☆20Updated 7 years ago
• msmbuilder / mdentropy
  Analyze correlated motions in MD trajectories with only a few lines of Python.
  ☆32Updated 7 years ago
• CommonChem / CommonChem
  ☆14Updated 7 years ago
• simonmb / fragmentation_algorithm_paper
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆35Updated 3 years ago
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 5 years ago
• maclandrol / smexplainer
  Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)
  ☆16Updated 3 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• schrodinger / coordgenlibs
  Schrodinger-developed 2D Coordinate Generation
  ☆44Updated 3 weeks ago
• MobleyLab / chemper
  Repository for Chemical Perception Sampling Tools
  ☆21Updated 11 months ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated last month
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆38Updated last year
• insilichem / gaudi
  GaudiMM: A modular optimization platform for molecular design
  ☆32Updated last year
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆24Updated 3 months ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• skearnes / pubchem-utils
  Utilities for interacting with PubChem
  ☆17Updated 10 years ago
• SENSAAS / sensaas
  Shape-based alignment of molecules using 3D point-based representation
  ☆21Updated last year
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆55Updated this week
• PistoiaAlliance / UDM
  The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…
  ☆18Updated 3 years ago
• tuffery / Frog2
  2D/3D generation for small compounds
  ☆32Updated 5 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆22Updated 5 years ago
• salilab / pmi
  Python Modeling Interface
  ☆13Updated last week