Alternatives and similar repositories for crnpy:

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

• chemreac / chemreac
  Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.
  ☆14Updated last year
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆44Updated 2 years ago
• OpenChemistry / mongochemserver
  Server code for MongoChem chemical data
  ☆16Updated 2 years ago
• joaander / hoomd-blue
  ☆19Updated 2 years ago
• KingsburyLab / pyEQL
  A Python library for solution chemistry
  ☆66Updated this week
• ziima / pyvmd
  Python tools for VMD
  ☆10Updated 6 years ago
• rnelsonchem / pHcalc
  Systematic pH calculation package for Python
  ☆35Updated 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
• geem-lab / pnictogen
  ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
  ☆17Updated 5 years ago
• aspuru-guzik-group / funsies
  funsies is a lightweight workflow engine 🔧
  ☆41Updated 3 years ago
• glotzerlab / signac-dashboard
  Rapidly visualize signac projects through a customizable dashboard interface.
  ☆16Updated 2 weeks ago
• PySCeS / pysces
  The official PySCeS project source code repository.
  ☆38Updated 3 months ago
• victor-gil-sepulveda / pyRMSD
  pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…
  ☆26Updated 4 years ago
• openforcefield / open-forcefield-data
  Datasets for open forcefield parameterization and development
  ☆11Updated 5 years ago
• bjmorgan / python_in_chemistry
  ☆11Updated last month
• choderalab / thermopyl
  Tools for ThermoML parsing
  ☆20Updated 3 years ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆24Updated 4 years ago
• fekad / jupyter-jsmol
  This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
  ☆33Updated 2 years ago
• caiofcm / pyequion
  Chemical equilibrium for electrolytes system in pure python.
  ☆26Updated 2 years ago
• Santiso-Group / despasito
  DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
  ☆16Updated last month
• gabrielelanaro / chemview
  The new generation molecular viewer for IPython notebook
  ☆82Updated 4 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆36Updated 5 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆115Updated 6 years ago
• bjodah / pykinsol
  Python wrapper around KINSOL (from the sundials library)
  ☆10Updated 2 months ago
• dftbplus / dftd3-lib
  Library version of S. Grimmes DFTD3 code.
  ☆11Updated 2 years ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆22Updated last year
• MechWolf / MechWolf
  ⚙️🐺 Robotic chemistry made easy
  ☆31Updated 2 years ago
• HECBioSim / Longbow
  Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…
  ☆17Updated last week