Alternatives and similar repositories for chemminetools

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

• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 6 months ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆65Updated 5 years ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆78Updated 3 years ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆68Updated 5 months ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆88Updated 4 years ago
• chembl / GLaDOS
  Web Interface for ChEMBL @ EMBL-EBI
  ☆53Updated 3 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆45Updated last year
• insilichem / pychimera
  Use UCSF Chimera Python API in a standard interpreter
  ☆59Updated 6 years ago
• gerdos / PyRAMA
  Python implementation of the Ramachandran plot
  ☆53Updated 4 months ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆118Updated 2 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 8 years ago
• rasbt / protein-science
  A collection of useful tutorials for Protein Science
  ☆108Updated 10 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆74Updated 2 years ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆66Updated 4 years ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆84Updated 2 months ago
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆115Updated last year
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆54Updated 3 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 5 years ago
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆43Updated last month
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 5 months ago
• boscoh / pdbremix
  analyse PDB files, run molecular-dynamics & analyse trajectories
  ☆62Updated 7 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• bioexcel / gromacs-docker
  Dockerfile for GROMACS
  ☆52Updated 2 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆95Updated 3 weeks ago
• iwatobipen / chemo_info
  ☆31Updated 7 months ago
• mwojcikowski / smina
  ☆132Updated 7 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆130Updated this week
• avirshup / py3dmol
  ☆130Updated 9 years ago