chemplexity / molecules

Related projects: ⓘ

• Actelion / openchemlib
  Open source Java-based chemistry library
  ☆81Updated this week
• jsme-editor / jsme-editor.github.io
  ☆79Updated 4 months ago
• chembl / chembl_beaker
  RDKit wrapper
  ☆48Updated 5 months ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated last month
• deepchem / deepchem-gui
  A simple web GUI for DeepChem
  ☆59Updated 9 months ago
• ggasoftware / ketcher
  Ketcher: web-based chemical sketcher
  ☆58Updated 10 years ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆153Updated 4 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆90Updated last week
• cheminfo / openchemlib-js
  JavaScript port of OpenChemLib
  ☆72Updated last month
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆52Updated 2 years ago
• duerrsimon / substrate-scope-plot
  ☆52Updated 4 years ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆76Updated 2 years ago
• dsehnal / LiteMol
  A library/plugin for handling 3D structural molecular data (not only) in the browser.
  ☆155Updated 5 years ago
• epam / miew
  3D Molecular Viewer
  ☆133Updated 3 weeks ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆61Updated 4 years ago
• boscoh / pdbremix
  analyse PDB files, run molecular-dynamics & analyse trajectories
  ☆61Updated 6 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆86Updated 10 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆88Updated last month
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆91Updated 4 months ago
• Autodesk / molecule-3d-for-react
  3D molecular visualization React component using 3Dmol.js
  ☆65Updated 3 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆50Updated this week
• Autodesk / molecular-design-toolkit
  Notebook-integrated tools for molecular simulation and visualization
  ☆164Updated 6 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆80Updated last year
• uglymol / uglymol
  Macromolecular viewer for crystallographers (WebGL)
  ☆38Updated 4 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆38Updated last year
• SchniedersLab / forcefieldx
  Force Field X - Software for Molecular Biophysics
  ☆19Updated last week
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆93Updated last month
• rdkit / RDKitjs-legacy
  Obsolete codebase, please do not use.
  ☆32Updated last year
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆130Updated 2 weeks ago
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆89Updated last year