Alternatives and similar repositories for mongochemserver

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

• sciapp / pyMolDyn
  A molecule viewer with cavity computation
  ☆16Updated 5 months ago
• datreant / MDSynthesis
  a logistics and persistence engine for the analysis of molecular dynamics trajectories
  ☆30Updated 5 years ago
• choderalab / thermopyl
  Tools for ThermoML parsing
  ☆21Updated 4 years ago
• IUPAC / Dissociation-Constants
  This repository includes pKa data digitized and curated from reference books published by IUPAC.
  ☆73Updated 5 months ago
• fekad / jupyter-jsmol
  This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
  ☆33Updated 2 years ago
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆44Updated 7 years ago
• TheoChem-VU / PyFrag
  ☆21Updated 2 weeks ago
• uglymol / uglymol
  Macromolecular viewer for crystallographers (WebGL)
  ☆39Updated 2 months ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated last week
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆119Updated 7 years ago
• nglviewer / mdsrv
  MD trajectory server
  ☆35Updated 2 years ago
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated last week
• CommonChem / CommonChem
  ☆14Updated 7 years ago
• patrickfuchs / buildH
  Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.
  ☆14Updated 2 years ago
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆46Updated 3 months ago
• ekwan / PyQuiver
  kinetic isotope effect prediction with Gaussian
  ☆16Updated 2 years ago
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated last week
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆78Updated 6 years ago
• scotthartley / blmol
  A script for importing molecular geometries into Blender
  ☆36Updated 3 years ago
• chrisjsewell / PyGauss
  An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation
  ☆26Updated 3 years ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated last week
• openforcefield / smarty
  Chemical perception tree automated exploration tool.
  ☆19Updated 7 years ago
• TApplencourt / EMSL_Basis_Set_Exchange_Local
  Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.
  ☆16Updated 8 years ago
• ymatsunaga / mdtoolbox
  MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories
  ☆26Updated 5 years ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated last week
• MDAnalysis / pmda
  Parallel algorithms for MDAnalysis
  ☆31Updated last year
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 15 years ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated last month