Augus1999 / mol2chemfigPy3

Related projects ⓘ

Alternatives and complementary repositories for mol2chemfigPy3

• CurtisColwell / StrainViz
  Strain Visualization for Inherently Strained Organic Molecules
  ☆21Updated last year
• TheBiomics / GMXvg
  Plotting graphs from XVGs generated by GROMACS in Python
  ☆21Updated 5 months ago
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆22Updated 2 weeks ago
• frobnitzem / pbctools
  Development version of the pbctools plugin for VMD.
  ☆16Updated 2 years ago
• marrink-lab / martini-forcefields
  Collection of interaction and molecule parameters for the Martini3 force-field
  ☆11Updated last year
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆82Updated 3 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆109Updated 5 years ago
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆88Updated 2 years ago
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆109Updated 5 years ago
• dylanwal / chemistry_drawer
  Draw molecules with plotly!
  ☆42Updated 2 months ago
• jalemkul / gridmat-md
  GridMAT-MD membrane analysis program
  ☆23Updated 6 years ago
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆82Updated this week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆140Updated last week
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆106Updated this week
• juliacontrerasgarcia / NCIPLOT-4.2
  Program for revealing non-covalent interactions
  ☆32Updated 2 years ago
• selimsami / qforce
  ☆57Updated this week
• zorkzou / Molden2AIM
  Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
  ☆52Updated 8 months ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆93Updated last month
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆59Updated last week
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆39Updated 2 years ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆36Updated 4 months ago
• ricalmang / mechaSVG
  Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
  ☆70Updated 3 years ago
• grimme-lab / xtb_docs
  ☆35Updated last week
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆64Updated 10 months ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆49Updated last week
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆62Updated 2 weeks ago
• aminophen / chemobabel
  LaTeX package for generating chemical structural formula from ChemDraw files or SMILES notations using Open Babel
  ☆27Updated 2 years ago
• zotko / xyz2graph
  Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
  ☆79Updated this week
• TinkerTools / poltype2
  Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
  ☆41Updated last week
• beautiful-atoms / beautiful-atoms
  Python module for drawing and rendering beautiful atoms and molecules using Blender.
  ☆143Updated last month