Alternatives and similar repositories for stringmol

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

• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆33Updated 4 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆23Updated last year
• croningp / ChemputerSoftware
  Software for running the Chemputer in association with the supporting publication in Science
  ☆102Updated 3 years ago
• pybel / pybel
  🌶️ An ecosystem in Python for working with the Biological Expression Language (BEL)
  ☆136Updated last year
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 4 years ago
• rareylab / RingDecomposerLib
  Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)
  ☆18Updated last year
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 5 years ago
• aspuru-guzik-group / ChemOS
  ☆63Updated 3 years ago
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆54Updated 3 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆69Updated 4 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• kmansouri / QSAR-ready
  Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
  ☆22Updated last year
• choderalab / openmm-tutorials
  Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
  ☆49Updated 8 years ago
• lightdock / lightdock-python2.7
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆24Updated 5 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 4 months ago
• asad / SMSD
  SMSD is a Java library for detecting Maximum Common Subgraphs (MCS) and substructures between small molecules.
  ☆47Updated 4 months ago
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆17Updated 7 years ago
• insilichem / tangram
  A collection of molecular modelling tools for UCSF Chimera
  ☆17Updated 6 years ago
• feiglab / sars-cov-2-proteins
  ☆21Updated 5 years ago
• whitead / molcloud
  Make a bunch of molecules
  ☆97Updated last year
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆48Updated 3 years ago
• donaldlab / OSPREY3
  Open Source Protein REdesign for You v3
  ☆56Updated 2 months ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆92Updated 3 weeks ago
• SqrtNegInf / SMARTS
  SMARTS: 'regular expressions' for chemical structures
  ☆21Updated 7 years ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆62Updated 9 months ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated 4 months ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆20Updated 7 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆128Updated 5 months ago
• nanxstats / logd74
  A high-quality hand-curated logD7.4 dataset of 1,130 compounds
  ☆22Updated 8 years ago
• arhamshah / SolubilityPrediction
  A web based application predicts water solubility of any given chemical compound known or unknown
  ☆14Updated 4 years ago