reymond-group / smilesDrawer

Related projects ⓘ

Alternatives and complementary repositories for smilesDrawer

• partridgejiang / Kekule.js
  A Javascript cheminformatics toolkit.
  ☆251Updated 3 months ago
• rdkit / rdkit-js
  A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
  ☆155Updated this week
• 3dmol / 3Dmol.js
  WebGL accelerated JavaScript molecular graphics library
  ☆814Updated this week
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …
  ☆465Updated 3 months ago
• epam / Indigo
  Universal cheminformatics toolkit, utilities and database search tools
  ☆316Updated this week
• jsme-editor / jsme-editor.github.io
  ☆83Updated 6 months ago
• cheminfo / openchemlib-js
  JavaScript port of OpenChemLib
  ☆76Updated 2 weeks ago
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆265Updated last year
• mcs07 / PubChemPy
  Python wrapper for the PubChem PUG REST API.
  ☆397Updated 7 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆265Updated 9 months ago
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆379Updated 8 months ago
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆448Updated last month
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆159Updated last week
• dan2097 / opsin
  Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
  ☆157Updated 2 weeks ago
• MolecularAI / Reinvent
  ☆339Updated last year
• epam / ketcher
  Web-based molecule sketcher
  ☆496Updated this week
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆494Updated last week
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆275Updated this week
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆252Updated last week
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆785Updated 4 months ago
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆365Updated this week
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆161Updated 4 years ago
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆372Updated 3 weeks ago
• molstar / molstar
  A comprehensive macromolecular library
  ☆665Updated this week
• pckroon / pysmiles
  A lightweight python-only library for reading and writing SMILES strings
  ☆149Updated this week
• open-reaction-database / ord-data
  Official data repository for the Open Reaction Database
  ☆239Updated this week
• dsehnal / LiteMol
  A library/plugin for handling 3D structural molecular data (not only) in the browser.
  ☆156Updated 5 years ago
• ccsb-scripps / AutoDock-Vina
  AutoDock Vina
  ☆617Updated last week
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆367Updated 9 months ago
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆259Updated last week