Alternatives and similar repositories for jupyter-jsmol

Users that are interested in jupyter-jsmol are comparing it to the libraries listed below

• TheoChem-VU / PyFrag
  ☆21Updated 2 months ago
• anooplab / pyar
  Python program for aggregation and reaction
  ☆23Updated last year
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆52Updated last year
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 2 months ago
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆25Updated 3 years ago
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆25Updated 2 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• aoterodelaroza / nciplot
  Non-covalent index plots in molecular systems.
  ☆20Updated 8 years ago
• patrickfuller / imolecule
  An embeddable webGL molecule viewer and file format converter.
  ☆86Updated 4 years ago
• jevandezande / zmatrix
  A class for conversion between zmatrices and cartesian coordinates
  ☆34Updated 5 years ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆116Updated this week
• robashaw / basisopt
  Basis set optimization library for quantum chemistry
  ☆35Updated 6 months ago
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆56Updated last week
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆48Updated this week
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated 2 years ago
• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆71Updated last week
• moleview / moleview
  MoleView: A Fast and lightweight plug-in for 3D molecular visualization
  ☆31Updated 10 months ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆57Updated 2 months ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆28Updated last year
• geem-lab / pnictogen
  ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
  ☆17Updated 6 years ago
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆49Updated 2 years ago
• selimsami / qforce
  ☆61Updated 5 months ago
• m3g / Packmol.jl
  The future of Packmol
  ☆40Updated last month
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• scotthartley / blmol
  A script for importing molecular geometries into Blender
  ☆35Updated 3 years ago
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆67Updated last week
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆101Updated 3 years ago
• peverati / ACCDB
  A Computational Chemistry DataBase
  ☆45Updated 4 years ago
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 7 years ago