Alternatives and similar repositories for mol2chemfigPy3

Users that are interested in mol2chemfigPy3 are comparing it to the libraries listed below

• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆175Updated 3 weeks ago
• lukasturcani / stk
  A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …
  ☆281Updated last month
• ricalmang / mechaSVG
  Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
  ☆81Updated 4 years ago
• faccts / opi
  ORCA Python Interface
  ☆114Updated last week
• selimsami / qforce
  ☆61Updated 6 months ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆111Updated 3 months ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆160Updated this week
• frobnitzem / pbctools
  Development version of the pbctools plugin for VMD.
  ☆16Updated 5 months ago
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆141Updated last week
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆185Updated 5 months ago
• leeping / forcebalance
  Systematic force field optimization.
  ☆157Updated last year
• lab-cosmo / chemiscope
  An interactive structure/property explorer for materials and molecules
  ☆167Updated this week
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆125Updated 4 years ago
• skblnw / mkvmd_render
  How to make images for publication using VMD
  ☆42Updated 4 years ago
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆133Updated 3 years ago
• dan2097 / opsin
  Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
  ☆193Updated last month
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆76Updated last year
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆94Updated 2 weeks ago
• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆108Updated 3 years ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆169Updated last year
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆41Updated 8 months ago
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆32Updated last week
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆232Updated 2 weeks ago
• grimme-lab / xtb-python
  Python API for the extended tight binding program package
  ☆123Updated last year
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆118Updated 7 years ago
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆121Updated 7 years ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆158Updated this week
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆153Updated 2 months ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆116Updated last month
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆148Updated 7 months ago