Alternatives and similar repositories for ChemTreeMap:

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

• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated 2 months ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆44Updated last month
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆35Updated 10 months ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆75Updated 3 years ago
• Vfold-RNA / RLDOCK
  ☆32Updated 11 months ago
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 6 years ago
• sriniker / TDT-tutorial-2014
  Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…
  ☆24Updated 7 years ago
• fergaljd / cyclops
  ☆16Updated 2 months ago
• czodrowskilab / VSFlow
  ☆85Updated last month
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• lhm30 / PIDGINv3
  Protein target prediction using random forests and reliability-density neighbourhood analysis
  ☆40Updated 4 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆42Updated 5 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• fimrie / DeepCoy
  ☆27Updated last year
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆51Updated last year
• AstraZeneca / peptide-tools
  Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.
  ☆33Updated 3 weeks ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆40Updated last year
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆24Updated 3 years ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆73Updated 3 years ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆60Updated 3 years ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆16Updated 4 years ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆17Updated 3 years ago
• 0ut0fcontrol / isoRMSD
  calculating RMSD between 2 conformers with different atom names
  ☆14Updated 4 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year