Alternatives and similar repositories for maeparser

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

• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆59Updated this week
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆74Updated this week
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆56Updated 9 months ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆43Updated 3 weeks ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Updated 9 months ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆68Updated this week
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆48Updated 8 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• choderalab / qmlify
  ☆44Updated 3 years ago
• Psivant / stormm
  STORMM: Structure and TOpology Replica Molecular Mechanics
  ☆80Updated last month
• gnina / SolTranNet
  Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
  ☆39Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated last month
• graeter-group / grappa
  A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
  ☆53Updated this week
• michellab / a3fe
  Automated Adaptive Absolute alchemical Free Energy calculator
  ☆111Updated last week
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 5 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆68Updated 3 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆108Updated last year
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆52Updated this week
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆43Updated 2 weeks ago
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆43Updated 2 weeks ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆36Updated 2 weeks ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆82Updated 6 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆76Updated last year
• Becksteinlab / propkatraj
  pKa estimates for proteins using an ensemble approach
  ☆29Updated 3 months ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆102Updated 5 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated 2 years ago
• forlilab / waterkit
  Tool to predict water molecules placement and energy in ligand binding sites
  ☆30Updated last month
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆43Updated last month
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆127Updated this week