Alternatives and similar repositories for jupyterlab_3Dmol:

Users that are interested in jupyterlab_3Dmol are comparing it to the libraries listed below

• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆34Updated 2 weeks ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆36Updated 3 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated last month
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated last week
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago
• denoptim-project / DENOPTIM
  DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
  ☆37Updated last month
• MobleyLab / chemper
  Repository for Chemical Perception Sampling Tools
  ☆19Updated 6 months ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆37Updated last month
• MDAnalysis / MDAnalysisData
  Access to data for workshops and extended tests of MDAnalysis.
  ☆15Updated 4 months ago
• insilichem / ommprotocol
  A command line application to launch molecular dynamics simulations with OpenMM
  ☆40Updated 2 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆37Updated 10 months ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• UAMCAntwerpen / LEADD
  Lamarckian Evolutionary Algorithm for de novo Drug Design
  ☆26Updated last year
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆39Updated last year
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆52Updated 9 months ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated 11 months ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆64Updated 3 years ago
• nglviewer / mdsrv
  MD trajectory server
  ☆34Updated last year
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆36Updated last year
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• mobiochem / MoBioTools
  A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…
  ☆28Updated last year
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆32Updated last week
• Becksteinlab / hop
  Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.
  ☆14Updated 6 years ago
• choderalab / alchemy
  Alchemical tools for OpenMM
  ☆9Updated 3 years ago
• hainm / molstarview
  This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview
  ☆13Updated 2 months ago
• cdsgroup / resp
  A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4
  ☆29Updated 5 years ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆72Updated last year
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆51Updated last month
• schlessinger-lab / pyvol
  volume calculation and segmentation
  ☆28Updated 9 months ago
• tuffery / Frog2
  2D/3D generation for small compounds
  ☆32Updated 5 years ago