Alternatives and similar repositories for peakipy:

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

• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated 5 months ago
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated last year
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆38Updated 2 months ago
• coleygroup / ML4MolEng
  Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)
  ☆16Updated 11 months ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆49Updated last week
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆41Updated last year
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆32Updated 2 weeks ago
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆64Updated last year
• qusers / Q6
  Q6 Repository -- EVB, FEP and LIE simulator.
  ☆31Updated last year
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆39Updated 8 years ago
• marrink-lab / martini-forcefields
  Collection of interaction and molecule parameters for the Martini3 force-field
  ☆13Updated 2 years ago
• delemottelab / demystifying
  ☆19Updated 4 years ago
• dylanwal / chemistry_drawer
  Draw molecules with plotly!
  ☆43Updated 6 months ago
• lithium0003 / JSME_ipywidget
  JSME Molecule Editor ipywidget for jupyter notebook
  ☆12Updated 3 years ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆51Updated 2 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆37Updated 11 months ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆116Updated last week
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆40Updated 3 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆72Updated last year
• aclarkxyz / data_coordinchi
  Data for Coordination Complexes for the InChI Identifier
  ☆12Updated 3 years ago
• aclarkxyz / web_molkit
  Web Molecular Toolkit: cheminformatics functionality in TypeScript
  ☆35Updated last week
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆62Updated 4 months ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆32Updated 4 years ago
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆52Updated 10 months ago
• GMPavanLab / Swarm-CG
  Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…
  ☆45Updated 7 months ago
• mobiochem / MoBioTools
  A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…
  ☆28Updated last year
• selimsami / qforce
  ☆58Updated 4 months ago
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆58Updated last year