Alternatives and similar repositories for cheminfo-to-web

Users that are interested in cheminfo-to-web are comparing it to the libraries listed below

• Actelion / openchemlib
  Open source Java-based chemistry library
  ☆103Updated this week
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆103Updated this week
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆165Updated 10 months ago
• OpenSourceMolecularModeling / OpenSourceMolecularModeling.github.io
  Catalog of Open Source Molecular Modeling Projects
  ☆107Updated last month
• MolecularAI / maize
  A graph-based workflow manager for computational chemistry pipelines
  ☆68Updated 8 months ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 5 months ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 2 months ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆162Updated 3 months ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆127Updated last month
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆133Updated 6 years ago
• rdkit / rdkit-js
  A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
  ☆212Updated this week
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆108Updated 2 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆131Updated 2 weeks ago
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆38Updated 2 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆90Updated last month
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆70Updated 6 months ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆175Updated 5 years ago
• pdynamo / pDynamo3
  The pDynamo molecular modeling and simulation program
  ☆42Updated 5 months ago
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆58Updated 2 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆131Updated last week
• cdk / depict
  SMILES Depiction Generator
  ☆60Updated 2 weeks ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆201Updated 10 months ago
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆69Updated last year
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆60Updated last month
• jvalegre / aqme
  Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…
  ☆114Updated 2 weeks ago
• delemottelab / InfleCS-free-energy-clustering-tutorial
  Python tutorial for estimating and clustering free energy landscapes with InfleCS.
  ☆30Updated 3 years ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆79Updated 3 weeks ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆82Updated 4 months ago