Alternatives and similar repositories for virtual-reality-chemical-space

Users that are interested in virtual-reality-chemical-space are comparing it to the libraries listed below

• LBT-CNRS / UnityMol-Releases
  Official github repository of public UnityMol source code releases -- more details at http://unitymol.sourceforge.net
  ☆63Updated 2 years ago
• JBostrom / MolecularRiftv2
  ☆16Updated 8 years ago
• Actelion / openchemlib
  Open source Java-based chemistry library
  ☆98Updated this week
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆18Updated 2 months ago
• boscoh / pdbremix
  analyse PDB files, run molecular-dynamics & analyse trajectories
  ☆61Updated 7 years ago
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆63Updated last year
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆101Updated 8 months ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆18Updated 4 months ago
• duerrsimon / substrate-scope-plot
  ☆55Updated last month
• wallerlab / chem-preview
  Augmented Reality App
  ☆10Updated 8 years ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆82Updated 2 years ago
• ecrl / graphchem
  Graph-based machine learning for chemical property prediction
  ☆32Updated 4 months ago
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆47Updated 4 years ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆60Updated last month
• chopralab / lemon
  A framework for rapidly mining structural information from the Protein Data Bank
  ☆53Updated 5 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆79Updated 5 months ago
• daenuprobst / theia
  ☆19Updated 11 months ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆55Updated this week
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• BCLCommons / bcl
  The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative struct…
  ☆28Updated last year
• chembl / chembl_beaker
  RDKit wrapper
  ☆49Updated last year
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 4 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆44Updated 2 weeks ago
• Qiong-Yang / FastEI
  Ultra-fast and Accurate Spectrum Matching
  ☆27Updated last year
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆154Updated 5 months ago
• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆35Updated this week
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆44Updated last year
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆70Updated last week
• iwatobipen / chemo_info
  ☆31Updated 2 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆69Updated 2 months ago